Geometry & MOs

Info

ID:	195045
PubChem CID:	78626684
Reduced:	Cl2N3O4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	320.086245
ΔH_f, kcal/mol:	-139.67
Dipole, Da:	2.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754747
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-3-propan-2-ylthiourea

Drug info:

PubChemData

Smile

CCC[N+]1=C(C(C(=O)N(C1=O)C)C(=O)COC2=C(C=CC(=C2)Cl)Cl)N

DOS

IR

Vibrations