Geometry & MOs

Info

ID:	65752
PubChem CID:	46386826
Reduced:	FN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	404.128469
ΔH_f, kcal/mol:	-99.49
Dipole, Da:	6.31
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CC=NC=C4

DOS

IR

Vibrations