Geometry & MOs

Info

ID:	16317
PubChem CID:	464322
Reduced:	SN2O5C30H38 (1)
Stoich.:	AB2C5D30E38 (1)
Weight, g/mol:	538.250144
ΔH_f, kcal/mol:	-172.19
Dipole, Da:	11.1
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations