Geometry & MOs

Info

ID:	194935
PubChem CID:	78610719
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	421.101765
ΔH_f, kcal/mol:	-138.63
Dipole, Da:	3.75
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

DOS

IR

Vibrations