Geometry & MOs

Info

ID:	299849
PubChem CID:	117695926
Reduced:	NSO3C6H15 (1)
Stoich.:	ABC3D6E15 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-153.55
Dipole, Da:	2.03
IP(EA), eV:	-9.58(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(4-cyanophenyl)-3-methyl-4-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CCCCS(=O)(=O)O)N

DOS

IR

Vibrations