Geometry & MOs

Info

ID:	340160
PubChem CID:	127262169
Reduced:	PN5O8C23H30 (1)
Stoich.:	AB5C8D23E30 (1)
Weight, g/mol:	529.23589
ΔH_f, kcal/mol:	-369.23
Dipole, Da:	5.74
IP(EA), eV:	-9.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-(3-methylsulfanylpropyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(CP(=O)(O)O)C(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(CP(=O)(O)O)C(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):