Geometry & MOs

Info

ID:	16700
PubChem CID:	475221
Reduced:	SN2O5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	496.203193
ΔH_f, kcal/mol:	-167.95
Dipole, Da:	4.08
IP(EA), eV:	-9.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[(2S,3R)-3-hydroxy-5-[methyl-(4-methylphenyl)sulfonylamino]-1-phenylpentan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)O)C)O

DOS

IR

Vibrations