Geometry & MOs

Info

ID:	69318
PubChem CID:	46530672
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	478.111791
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	3.99
IP(EA), eV:	-8.39(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)sulfanylmethyl]-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

DOS

IR

Vibrations