Geometry & MOs

Info

ID:	64355
PubChem CID:	29199264
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-66.28
Dipole, Da:	5.96
IP(EA), eV:	-8.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N,3-dimethyl-N-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C)OC

DOS

IR

Vibrations