Geometry & MOs

Info

ID:	66072
PubChem CID:	46490997
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	433.109627
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	3.16
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)CSCC3=NOC(=N3)C

DOS

IR

Vibrations