Geometry & MOs

Info

ID:	168071
PubChem CID:	74920592
Reduced:	SN3O4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	475.155036
ΔH_f, kcal/mol:	-81.76
Dipole, Da:	8.09
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-[6-methoxy-3-(4-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=COC3=C(C(=C(C=C23)C(=CC(=O)NC4=NC(=CS4)CC(=O)N)C)OC)C)C

DOS

IR

Vibrations