Geometry & MOs

Info

ID:	65087
PubChem CID:	29204449
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	499.214092
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	6.67
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations