Geometry & MOs

Info

ID:	426185
PubChem CID:	135142142
Reduced:	O2N5C31H39 (1)
Stoich.:	A2B5C31D39 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	6.55
IP(EA), eV:	-8.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[(2,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazoline-2-thione

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1NC(=O)C3=CC=CC(=C3)C#N)N(CC2(C)[C@@H]4CCN(C(C4)(C)C)C(=O)C5CCCC5)C

DOS

IR

Vibrations