Geometry & MOs

Info

ID:	443084
PubChem CID:	135257656
Reduced:	NOC11H13 (3)
Stoich.:	ABC11D13 (3)
Weight, g/mol:	562.213758
ΔH_f, kcal/mol:	-64.74
Dipole, Da:	3.2
IP(EA), eV:	-8.33(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-[(4-cyclohexylphenyl)methyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC4=C(C=C3)N(N=C4)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations