Geometry & MOs

Info

ID:	135046
PubChem CID:	51804171
Reduced:	SN2O5C27H38 (1)
Stoich.:	AB2C5D27E38 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-195.85
Dipole, Da:	2.36
IP(EA), eV:	-9.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-(2-methylphenyl)acetyl]-propylamino]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations