Geometry & MOs

Info

ID:	219255
PubChem CID:	85096722
Reduced:	OSiSnC22H48 (1)
Stoich.:	ABCD22E48 (1)
Weight, g/mol:	475.147824
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	1.16
IP(EA), eV:	-8.47(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,7-dimethyl-4-oxo-4aH-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluoro-N-(1,3-thiazol-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(C)C=CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations