Geometry & MOs

Info

ID:	299210
PubChem CID:	117679884
Reduced:	ClSO2N4C23H33 (1)
Stoich.:	ABC2D4E23F33 (1)
Weight, g/mol:	197.103851
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	5.47
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-(azidomethyl)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CSC(=C2C)N3CCCC3C4CCNCC4)C.Cl

DOS

IR

Vibrations