Geometry & MOs

Info

ID:	65698
PubChem CID:	46386764
Reduced:	ClO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	420.098918
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	4.98
IP(EA), eV:	-8.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]benzoate

Drug info:

PubChemData

Smile

COCCCNC(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C3=CN=CC=C3

DOS

IR

Vibrations