Geometry & MOs

Info

ID:	77811
PubChem CID:	49661609
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	4.44
IP(EA), eV:	-9.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,5-dimethoxyphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCSC4)C

DOS

IR

Vibrations