Geometry & MOs

Info

ID:	134663
PubChem CID:	51735883
Reduced:	ClN2O5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	432.163827
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	5.21
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(3-chlorophenyl)-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC(=C(C=C1)O)OC)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations