Geometry & MOs

Info

ID:	404912
PubChem CID:	135071705
Reduced:	NSO4C31H33 (1)
Stoich.:	ABC4D31E33 (1)
Weight, g/mol:	653.25998
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	6.51
IP(EA), eV:	-9.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-1,3,5-triphenylpent-1-yn-3-yl] 3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)[C@@H](C(C)C)C(C#CC2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations