Geometry & MOs

Info

ID:	397171
PubChem CID:	135029834
Reduced:	NS2O3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	591.241942
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	5.92
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(C2=CC=C(C=C2)OC)SC3=CC=CC=C3

DOS

IR

Vibrations