Geometry & MOs

Info

ID:	178282
PubChem CID:	76307730
Reduced:	FSN3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	467.216869
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	6.96
IP(EA), eV:	-9.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(5-methoxyfuran-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC(=NC=C2)F)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations