Geometry & MOs

Info

ID:	140345
PubChem CID:	52685462
Reduced:	N4O5C26H32 (1)
Stoich.:	A4B5C26D32 (1)
Weight, g/mol:	468.171893
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	8.93
IP(EA), eV:	-8.95(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-phenylmethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=CC=C(C=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)C

DOS

IR

Vibrations