Geometry & MOs

Info

ID:	69125
PubChem CID:	46519292
Reduced:	BrFNO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	361.051714
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	2.41
IP(EA), eV:	-9.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(6-chloro-2H-chromene-3-carbonyl)amino]-4-fluorobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Br)F

DOS

IR

Vibrations