Geometry & MOs

Info

ID:	33466
PubChem CID:	7886633
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	380.0484
ΔH_f, kcal/mol:	15.34
Dipole, Da:	5.92
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(tert-butylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)C)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations