Geometry & MOs

Info

ID:	150154
PubChem CID:	53789841
Reduced:	NO4H23C25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	420.200885
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	6.67
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-amino-5-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations