Geometry & MOs

Info

ID:	123292
PubChem CID:	50840869
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	4.45
IP(EA), eV:	-8.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-methylphenyl)methyl]-4-oxo-2-(1,3-thiazolidin-3-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCN(CC4)C5=CC=CC(=C5)C

DOS

IR

Vibrations