Geometry & MOs

Info

ID:	242552
PubChem CID:	97302021
Reduced:	NSO4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-130.14
Dipole, Da:	8.04
IP(EA), eV:	-9.68(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2R)-3-[(2S)-2-acetamido-2-phenylacetyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)SCCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)O

DOS

IR

Vibrations