Geometry & MOs

Info

ID:	193191
PubChem CID:	78354779
Reduced:	SN2O3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	354.09642
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	1.33
IP(EA), eV:	-8.29(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethoxy-5-nitrophenyl)methylideneamino]-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)OC3=C(C2=O)C(N(C3=O)C4=NC=CC(=C4)C)C5=CC=C(C=C5)SC

DOS

IR

Vibrations