Geometry & MOs

Info

ID:	404953
PubChem CID:	135071853
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	641.12354
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	5.98
IP(EA), eV:	-9.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC#C)N(O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations