Geometry & MOs

Info

ID:	135174
PubChem CID:	51828946
Reduced:	NOC11H18 (2)
Stoich.:	ABC11D18 (2)
Weight, g/mol:	470.223929
ΔH_f, kcal/mol:	-124.53
Dipole, Da:	3.24
IP(EA), eV:	-9.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-methyl-N-[(1R)-1-(2-methylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]but-2-enamide

Drug info:

PubChemData

Smile

CCCCC[C@H](C(=O)NC(C)(C)C)N(C(=O)C1=CC=CC=C1)C(C)(C)C

DOS

IR

Vibrations