Geometry & MOs

Info

ID:	405392
PubChem CID:	135073729
Reduced:	ClSO2N3H16C21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	53.12
Dipole, Da:	3.84
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methylhept-5-en-2-yl-(4-methylphenyl)sulfonylamino] phenyl carbonate

Drug info:

PubChemData

Smile

CC1=NOC(=C1N2C(=O)CSC2=NC3=CC=C(C=C3)Cl)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations