Geometry & MOs

Info

ID:	60132
PubChem CID:	26675743
Reduced:	BrSN4O4H19C20 (1)
Stoich.:	ABC4D4E19F20 (1)
Weight, g/mol:	430.10044
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	5.04
IP(EA), eV:	-9.6(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations