Geometry & MOs

Info

ID:	155120
PubChem CID:	56320720
Reduced:	SN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	433.148515
ΔH_f, kcal/mol:	-97.03
Dipole, Da:	6.37
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-hydroxybenzoyl)amino]propyl]-3,4,5-trimethoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(S2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations