Geometry & MOs

Info

ID:	155753
PubChem CID:	56367348
Reduced:	BrN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	462.03612
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	7.85
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)OC3=CN=CC=C3

DOS

IR

Vibrations