Geometry & MOs

Info

ID:	381138
PubChem CID:	134971789
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	401.16608
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	1.71
IP(EA), eV:	-9.62(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-methylphenyl)sulfonyl-N-[(2R)-2-phenylbut-3-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCCC[C@@H]1C=CCCO1

DOS

IR

Vibrations