Geometry & MOs

Info

ID:	45581
PubChem CID:	10515205
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	256.063011
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	4.23
IP(EA), eV:	-8.15(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2R)-2-isocyanatocyclopropyl]-N,N-dimethylimidazole-1-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1NC(C)(C)C)Cl)OC

DOS

IR

Vibrations