Geometry & MOs

Info

ID:	60848
PubChem CID:	26702607
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	322.038769
ΔH_f, kcal/mol:	11.93
Dipole, Da:	6.3
IP(EA), eV:	-8.76(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCCN2C(=O)C3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations