Geometry & MOs

Info

ID:	43010
PubChem CID:	10317754
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	382.22162
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	9.72
IP(EA), eV:	-8.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C\2=CNN/C2=C\3/C=C(C(=CC3=O)O)CCC4=CC=CC=C4F

DOS

IR

Vibrations