Geometry & MOs

Info

ID:	65696
PubChem CID:	46386761
Reduced:	ClON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	372.098918
ΔH_f, kcal/mol:	32.24
Dipole, Da:	4.97
IP(EA), eV:	-8.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)C

DOS

IR

Vibrations