Geometry & MOs

Info

ID:	33453
PubChem CID:	7886565
Reduced:	BrSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	377.07389
ΔH_f, kcal/mol:	-13.53
Dipole, Da:	1.44
IP(EA), eV:	-8.87(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-cycloheptylacetamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations