Geometry & MOs

Info

ID:	65678
PubChem CID:	46386743
Reduced:	OSN4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	386.13789
ΔH_f, kcal/mol:	59.94
Dipole, Da:	3.52
IP(EA), eV:	-8.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)NC2=C(NC3=CC=CC=C32)C4=CN=CC=C4

DOS

IR

Vibrations