Geometry & MOs

Info

ID:	404911
PubChem CID:	135071704
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	515.21303
ΔH_f, kcal/mol:	7.15
Dipole, Da:	5.46
IP(EA), eV:	-9.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-methyl-4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-1,3-diphenylhex-1-yn-3-yl] acetate

Drug info:

PubChemData

Smile

CC#CCN(CC#CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations