Geometry & MOs

Info

ID:	314255
PubChem CID:	126621065
Reduced:	O2N6C29H32 (1)
Stoich.:	A2B6C29D32 (1)
Weight, g/mol:	390.103814
ΔH_f, kcal/mol:	3.5
Dipole, Da:	5.18
IP(EA), eV:	-8.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-3-[(4-methoxysulfanylphenyl)methoxy]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C2=CC=CC3=CN=C(N=C32)NC4=CC=C(C=C4)NC5CCN(CC5)CCO

DOS

IR

Vibrations