Geometry & MOs

Info

ID:	161118
PubChem CID:	57390823
Reduced:	Cl3N4O6C33H35 (1)
Stoich.:	A3B4C6D33E35 (1)
Weight, g/mol:	389.108565
ΔH_f, kcal/mol:	-182.78
Dipole, Da:	8.04
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)N3[C@H](CNCC3=O)C(=O)N(CC4=C(C=CC(=C4)CNC(=O)OC)Cl)C5CC5)Cl

DOS

IR

Vibrations