Geometry & MOs

Info

ID:	77810
PubChem CID:	49661607
Reduced:	N4O4C29H30 (1)
Stoich.:	A4B4C29D30 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-75.21
Dipole, Da:	6.9
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,5-dimethylphenyl)-4-oxo-2-(1,3-thiazolidin-3-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations