Geometry & MOs

Info

ID:	128269
PubChem CID:	51037078
Reduced:	ClOSN3H16C21 (1)
Stoich.:	ABCD3E16F21 (1)
Weight, g/mol:	407.085911
ΔH_f, kcal/mol:	60.09
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroanilino)-N-(cyclopropylmethyl)thieno[3,2-c]quinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=CC3=C2N=C(C4=C3SC=C4)NC5=CC=CC=C5Cl

DOS

IR

Vibrations