Geometry & MOs

Info

ID:	149976
PubChem CID:	53789659
Reduced:	SCl2N2F3O3H19C24 (1)
Stoich.:	AB2C2D3E3F19G24 (1)
Weight, g/mol:	356.161031
ΔH_f, kcal/mol:	-190.63
Dipole, Da:	6.91
IP(EA), eV:	-8.89(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(carboxymethylamino)methylidene-(4-methoxycarbonylphenyl)-[[(1S)-1-phenylethyl]amino]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CS(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations