Geometry & MOs

Info

ID:	69309
PubChem CID:	46530636
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	476.067606
ΔH_f, kcal/mol:	-81.08
Dipole, Da:	6.63
IP(EA), eV:	-7.94(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4CCCO4

DOS

IR

Vibrations