Geometry & MOs

Info

ID:	134897
PubChem CID:	51777486
Reduced:	SN2O4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	416.340279
ΔH_f, kcal/mol:	-137.28
Dipole, Da:	6.35
IP(EA), eV:	-9.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[methyl-[(3R)-3-phenylbutanoyl]amino]-N-(2,4,4-trimethylpentan-2-yl)heptanamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C)C(=O)C[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations