Geometry & MOs

Info

ID:	245435
PubChem CID:	99444749
Reduced:	NS2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	424.14905
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	3.04
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC(=CC=C1)OC)C(=O)COC2=CC=C(C=C2)C3SCCS3

DOS

IR

Vibrations