Geometry & MOs

Info

ID:	60748
PubChem CID:	26699389
Reduced:	SO2N4H14C22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	494.084925
ΔH_f, kcal/mol:	86.84
Dipole, Da:	1.44
IP(EA), eV:	-8.97(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-4-chloro-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)NC(=O)/C=C/C4=CC=C(C=C4)C#N

DOS

IR

Vibrations