Geometry & MOs

Info

ID:	245345
PubChem CID:	99443703
Reduced:	SCl2N2O3C20H22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	426.123857
ΔH_f, kcal/mol:	-74.18
Dipole, Da:	2.27
IP(EA), eV:	-9.18(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCN(C1CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations