Geometry & MOs

Info

ID:	380596
PubChem CID:	134971084
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	384.171893
ΔH_f, kcal/mol:	-205.08
Dipole, Da:	3.55
IP(EA), eV:	-9.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z,2R,5R)-5-hydroxy-1-[(4-methylphenyl)sulfonylamino]hex-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](/C=C\[C@H](CO)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations