Geometry & MOs

Info

ID:	187204
PubChem CID:	77543755
Reduced:	FN3O5C25H28 (1)
Stoich.:	AB3C5D25E28 (1)
Weight, g/mol:	623.339293
ΔH_f, kcal/mol:	-192.29
Dipole, Da:	5.82
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-hydroxy-7-[[4-(hydroxymethyl)phenyl]sulfonyl-(3-methylbutyl)amino]octan-3-yl]amino]-3,3-diphenylpropanamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC=C(C(C2)(OC)F)C3=CC=C(C=C3)CNCC4=COC=C4

DOS

IR

Vibrations