Geometry & MOs

Info

ID:	34997
PubChem CID:	7979178
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-118.27
Dipole, Da:	3.97
IP(EA), eV:	-9.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations