Geometry & MOs

Info

ID:	65109
PubChem CID:	29204482
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	487.214092
ΔH_f, kcal/mol:	-186.96
Dipole, Da:	11.9
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(diethylsulfamoyl)phenyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations