Geometry & MOs

Info

ID:	188784
PubChem CID:	77765352
Reduced:	NSO5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	5.82
IP(EA), eV:	-9.87(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(2-benzamido-5-methoxy-3-methyl-5-oxopentanoyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1C(N2C(S1(=O)=O)CC2=O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations