Geometry & MOs

Info

ID:	435391
PubChem CID:	135191351
Reduced:	N3O5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	381.098806
ΔH_f, kcal/mol:	-203.6
Dipole, Da:	6.63
IP(EA), eV:	-8.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[3,4-bis(difluoromethyl)phenyl]but-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCCC1(C(N(CCC1(CC(=O)NC(=O)N)C2=C(C=CC(=C2)O)C(=O)C)CC3CC3)C)O

DOS

IR

Vibrations