Geometry & MOs

Info

ID:	340084
PubChem CID:	127262093
Reduced:	O2N9C22H25 (1)
Stoich.:	A2B9C22D25 (1)
Weight, g/mol:	504.248504
ΔH_f, kcal/mol:	30.14
Dipole, Da:	7.35
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide

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([C@@H](CC2=CN=CN2)C(=O)N)C(C3=NC=CN3)C4=NC=CN4)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([C@@H](CC2=CN=CN2)C(=O)N)C(C3=NC=CN3)C4=NC=CN4)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):