Geometry & MOs

Info

ID:	406412
PubChem CID:	135077522
Reduced:	NSO2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	637.344119
ΔH_f, kcal/mol:	29.85
Dipole, Da:	6.0
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[7-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-3-yl]-2-methyl-N-prop-2-ynylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=C)CC#CC2=CC=CC=C2

DOS

IR

Vibrations