Geometry & MOs

Info

ID:	66753
PubChem CID:	46505204
Reduced:	S2O5N6C25H32 (1)
Stoich.:	A2B5C6D25E32 (1)
Weight, g/mol:	536.114789
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	5.1
IP(EA), eV:	-8.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-nitrophenyl)-2-[6-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC)S(=O)(=O)N5CCN(CC5)C

DOS

IR

Vibrations