Geometry & MOs

Info

ID:	62360
PubChem CID:	26719631
Reduced:	SN3O4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	389.1223
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	12.48
IP(EA), eV:	-9.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations