Geometry & MOs

Info

ID:	188586
PubChem CID:	77738192
Reduced:	IO4N6C22H31 (1)
Stoich.:	AB4C6D22E31 (1)
Weight, g/mol:	353.142722
ΔH_f, kcal/mol:	-102.4
Dipole, Da:	7.49
IP(EA), eV:	-8.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetyl]amino]-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=N1)I)C2NC3=C(N(NC3C(=O)N2)C4CCN(CC4)C(=O)O)CC

DOS

IR

Vibrations