Geometry & MOs

Info

ID:	33472
PubChem CID:	7886645
Reduced:	OS2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	363.05824
ΔH_f, kcal/mol:	24.5
Dipole, Da:	1.8
IP(EA), eV:	-8.69(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations