Geometry & MOs

Info

ID:	63766
PubChem CID:	26759142
Reduced:	SN2O7C21H24 (1)
Stoich.:	AB2C7D21E24 (1)
Weight, g/mol:	434.1334
ΔH_f, kcal/mol:	-214.05
Dipole, Da:	9.51
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC3=C(C=C(C=C3)C=O)OC

DOS

IR

Vibrations