Geometry & MOs

Info

ID:	135179
PubChem CID:	51830297
Reduced:	N2O5C30H36 (1)
Stoich.:	A2B5C30D36 (1)
Weight, g/mol:	448.166808
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	1.7
IP(EA), eV:	-9.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl-(2-hydroxyacetyl)amino]-2-(2-hydroxyphenyl)-N-[(4-methylphenyl)sulfonylmethyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=C(C=C(C=C1O)O)O)N(C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations