Geometry & MOs

Info

ID:	193188
PubChem CID:	78354723
Reduced:	N4O6C13H21 (1)
Stoich.:	A4B6C13D21 (1)
Weight, g/mol:	380.04718
ΔH_f, kcal/mol:	-182.05
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757563
Charge, e:	1

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxo-4aH-quinazolin-1-ium-6-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C)NC1=[N+](C(=O)N(C(=O)C1[N+](=O)[O-])C)C

DOS

IR

Vibrations