Geometry & MOs

Info

ID:	245408
PubChem CID:	99444414
Reduced:	ClNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	412.112664
ΔH_f, kcal/mol:	-108.78
Dipole, Da:	2.71
IP(EA), eV:	-8.15(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenoxy)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1Cl)C(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations