Geometry & MOs

Info

ID:	128268
PubChem CID:	51037037
Reduced:	N5O8C47H63 (1)
Stoich.:	A5B8C47D63 (1)
Weight, g/mol:	393.070261
ΔH_f, kcal/mol:	-304.66
Dipole, Da:	5.42
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCOCCC4=CC(=CC=C4)CN5CCC6(CC5)CN(CCO6)C(=O)C(CO)C7=CC=CC=C7

DOS

IR

Vibrations