Geometry & MOs

Info

ID:	313654
PubChem CID:	126616807
Reduced:	Cl2O2N3C22H35 (1)
Stoich.:	A2B2C3D22E35 (1)
Weight, g/mol:	459.057503
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	2.38
IP(EA), eV:	-9.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-[3-[2-(3-chlorophenyl)ethylamino]-4-nitrophenyl]ethanethioamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCC(C2=CC=CC=C2Cl)NC(=O)C(C)N)C(C)C.Cl

DOS

IR

Vibrations