Geometry & MOs

Info

ID:	317383
PubChem CID:	126636945
Reduced:	N2C7H16 (1)
Stoich.:	A2B7C16 (1)
Weight, g/mol:	427.214092
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	2.93
IP(EA), eV:	-9.38(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S,5R)-5-[[4-(dimethylsulfamoyl)-2-methylphenyl]methylamino]oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC[C@@H](N)N=C(C)C

DOS

IR

Vibrations