Geometry & MOs

Info

ID:	189527
PubChem CID:	77868042
Reduced:	FO3N6C24H33 (1)
Stoich.:	AB3C6D24E33 (1)
Weight, g/mol:	210.997096
ΔH_f, kcal/mol:	-113.52
Dipole, Da:	4.06
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-chloro-6H-quinazoline-2-thione

Drug info:

PubChemData

Smile

CCN(CCN(CC1=CN=CC=C1)NC)C2=C(C=C(C=C2C)N3CC(OC3=O)CNC(=O)C)F

DOS

IR

Vibrations