Geometry & MOs

Info

ID:	33450
PubChem CID:	7886547
Reduced:	N2S2O3H16C20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	349.04259
ΔH_f, kcal/mol:	-39.19
Dipole, Da:	3.74
IP(EA), eV:	-8.88(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=NC4=C3C5=C(S4)CCC5)O

DOS

IR

Vibrations