Geometry & MOs

Info

ID:	220387
PubChem CID:	85182327
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	472.26857
ΔH_f, kcal/mol:	-225.29
Dipole, Da:	6.86
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[1-[(1-carbamoylcyclopentyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations