Geometry & MOs

Info

ID:	398484
PubChem CID:	135033484
Reduced:	FO5C8H13 (1)
Stoich.:	AB5C8D13 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-262.98
Dipole, Da:	1.0
IP(EA), eV:	-9.63(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-methylphenyl)sulfonyl-[(E)-1-phenylhex-4-en-3-yl]amino]carbamate

Drug info:

PubChemData

Smile

C/C(=C\1/[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/F

DOS

IR

Vibrations