Geometry & MOs

Info

ID:	229237
PubChem CID:	87567235
Reduced:	NSO6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	313.20732
ΔH_f, kcal/mol:	-247.75
Dipole, Da:	3.3
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2C(C1C(=O)O)CCC2OC(=S)OC3=CC=CC=C3

DOS

IR

Vibrations