Geometry & MOs

Info

ID:	313658
PubChem CID:	126616814
Reduced:	ClON2C19H29 (1)
Stoich.:	ABC2D19E29 (1)
Weight, g/mol:	431.122297
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	3.53
IP(EA), eV:	-9.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-N-(2,3-dihydro-1H-inden-2-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations