Geometry & MOs

Info

ID:	173961
PubChem CID:	75705647
Reduced:	ClN2O3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	468.148571
ΔH_f, kcal/mol:	-150.03
Dipole, Da:	1.97
IP(EA), eV:	-9.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-3-ethyl-N-[(4-methylphenyl)sulfonylmethyl]pentanamide

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)NC(C)(C)C)N(CC1=CC=CO1)C(=O)CCl

DOS

IR

Vibrations