Geometry & MOs

Info

ID:	65734
PubChem CID:	46386803
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	434.114568
ΔH_f, kcal/mol:	-29.13
Dipole, Da:	3.21
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations