Geometry & MOs

Info

ID:	67283
PubChem CID:	46506203
Reduced:	SN3O4H11C15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	453.164833
ΔH_f, kcal/mol:	-37.61
Dipole, Da:	9.28
IP(EA), eV:	-9.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyethyl)-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations