Geometry & MOs

Info

ID:	135135
PubChem CID:	51820328
Reduced:	NOC11H21 (2)
Stoich.:	ABC11D21 (2)
Weight, g/mol:	452.270879
ΔH_f, kcal/mol:	-175.05
Dipole, Da:	3.32
IP(EA), eV:	-9.29(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl(3-methylbutanoyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]heptanamide

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C(=O)NC1CCCCC1)N(C(=O)CC(C)C)C(C)(C)C

DOS

IR

Vibrations