Geometry & MOs

Info

ID:	404968
PubChem CID:	135071975
Reduced:	ClSO2F3N3H7C8 (1)
Stoich.:	ABC2D3E3F7G8 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-186.26
Dipole, Da:	3.86
IP(EA), eV:	-9.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[3-(3-methoxyphenyl)prop-2-ynyl]-N-(propan-2-yloxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N/N=C(/C(F)(F)F)\Cl)S(=O)(=O)N

DOS

IR

Vibrations