Geometry & MOs

Info

ID:	442014
PubChem CID:	135247894
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	48.56
Dipole, Da:	4.82
IP(EA), eV:	-8.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-methyl 2-(benzylcarbamoyl)-5-methylpyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1N=CN2CCC[C@H](C2)N)C(=O)N(C)CC3=CC=CC=C3C#N

DOS

IR

Vibrations