Geometry & MOs

Info

ID:	65692
PubChem CID:	46386757
Reduced:	ClO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	434.114568
ΔH_f, kcal/mol:	11.7
Dipole, Da:	3.84
IP(EA), eV:	-8.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations