Geometry & MOs

Info

ID:

340078

PubChem CID:

127262087

Reduced:

N6O7C23H30 (1)

Stoich.:

A6B7C23D30 (1)

Weight, g/mol:

432.248504

ΔHf, kcal/mol:

-255.18

Dipole, Da:

6.07

IP(EA), eV:

 -9.1(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)N([C@@H](CCCN=C(N)N)C(=O)N)C(=O)CNC(=O)CCCC(=O)O

DOS

IR

Vibrations