Geometry & MOs

Info

ID:	228016
PubChem CID:	87563232
Reduced:	ClNSO5C12H12 (1)
Stoich.:	ABCD5E12F12 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-166.32
Dipole, Da:	8.51
IP(EA), eV:	-10.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-cyano-N-[2-(4-propan-2-yloxyphenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)O)C(=O)S(=O)(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations