Geometry & MOs

Info

ID:	195431
PubChem CID:	78684435
Reduced:	ClOS3N4H13C16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	74.78
Dipole, Da:	1.59
IP(EA), eV:	-8.84(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-cyclohexylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(N=CC=C1)Cl)SC2=NN(C(=S)S2)C3=CC=CC=C3

DOS

IR

Vibrations