Geometry & MOs

Info

ID:	124908
PubChem CID:	50902539
Reduced:	ClFNPC5O6H10 (1)
Stoich.:	ABCDE5F6G10 (1)
Weight, g/mol:	599.306747
ΔH_f, kcal/mol:	-386.84
Dipole, Da:	2.61
IP(EA), eV:	-10.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

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[C@]([C@]1(C(=O)O)N)(C(O)P(=O)(O)O)F.Cl

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[C@]([C@]1(C(=O)O)N)(C(O)P(=O)(O)O)F.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):