Geometry & MOs

Info

ID:	60212
PubChem CID:	26675912
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	458.097014
ΔH_f, kcal/mol:	-184.63
Dipole, Da:	5.91
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methylphenyl)sulfonyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC(C)C)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations