Geometry & MOs

Info

ID:	62356
PubChem CID:	26719627
Reduced:	SN4O6C18H22 (1)
Stoich.:	AB4C6D18E22 (1)
Weight, g/mol:	382.12772
ΔH_f, kcal/mol:	-144.24
Dipole, Da:	11.46
IP(EA), eV:	-9.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

DOS

IR

Vibrations