Geometry & MOs

Info

ID:	65715
PubChem CID:	46386782
Reduced:	OF2N4H16C21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	404.128469
ΔH_f, kcal/mol:	-42.59
Dipole, Da:	5.22
IP(EA), eV:	-8.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations