Geometry & MOs

Info

ID:	122746
PubChem CID:	50820286
Reduced:	ClO3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	434.166414
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	5.71
IP(EA), eV:	-8.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(=NCCN2CCOCC2)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations