Geometry & MOs

Info

ID:	238598
PubChem CID:	92763348
Reduced:	ClN2O2C23H29 (1)
Stoich.:	AB2C2D23E29 (1)
Weight, g/mol:	524.176979
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	2.46
IP(EA), eV:	-8.48(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(1R)-2-(2-ethyl-6-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCO[C@H](CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations