Geometry & MOs

Info

ID:	234036
PubChem CID:	92297577
Reduced:	ClN2O2H25C31 (1)
Stoich.:	AB2C2D25E31 (1)
Weight, g/mol:	547.076715
ΔH_f, kcal/mol:	34.6
Dipole, Da:	2.81
IP(EA), eV:	-8.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(1R)-2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C(=C/C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl)/OC(=O)C5=CC=CC(=C5)C

DOS

IR

Vibrations