Geometry & MOs

Info

ID:	56450
PubChem CID:	17425492
Reduced:	SN3O4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	434.00482
ΔH_f, kcal/mol:	-118.78
Dipole, Da:	5.86
IP(EA), eV:	-9.19(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CN=C3N(C2=O)CCS3

DOS

IR

Vibrations