Geometry & MOs

Info

ID:	387233
PubChem CID:	134984512
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	386.986562
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	2.43
IP(EA), eV:	-8.22(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-(2-methyl-1-oxo-1-phenylbutan-2-yl)sulfamate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N1[C@@H]([C@H]1C2=CC=C(C=C2)OC)C=C

DOS

IR

Vibrations