Geometry & MOs

Info

ID:	41871
PubChem CID:	8147541
Reduced:	OSN6C19H24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	413.042332
ΔH_f, kcal/mol:	36.14
Dipole, Da:	9.16
IP(EA), eV:	-8.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N4CCCCCC4=N3

DOS

IR

Vibrations