Geometry & MOs

Info

ID:	30539
PubChem CID:	841468
Reduced:	NOSCl2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	331.061136
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	2.53
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-chloro-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl

DOS

IR

Vibrations