Geometry & MOs

Info

ID:	132232
PubChem CID:	51326433
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	349.058421
ΔH_f, kcal/mol:	-54.04
Dipole, Da:	7.62
IP(EA), eV:	-8.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfonyl)-N-(3-phenylprop-2-ynyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)N2CCC(CC2)C3=CC=C(C=C3)O

DOS

IR

Vibrations