Geometry & MOs

Info

ID:	234243
PubChem CID:	92297996
Reduced:	OCl2N3H15C23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	533.061065
ΔH_f, kcal/mol:	89.79
Dipole, Da:	7.6
IP(EA), eV:	-9.14(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[(1S)-2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations