Geometry & MOs

Info

ID:	133615
PubChem CID:	51562827
Reduced:	ClSO3N6H17C18 (1)
Stoich.:	ABC3D6E17F18 (1)
Weight, g/mol:	376.168402
ΔH_f, kcal/mol:	56.72
Dipole, Da:	9.23
IP(EA), eV:	-9.77(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=N2)S[C@@H](C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations