Geometry & MOs

Info

ID:	446557
PubChem CID:	135275973
Reduced:	SN4O6C41H50 (1)
Stoich.:	AB4C6D41E50 (1)
Weight, g/mol:	385.121353
ΔH_f, kcal/mol:	-181.85
Dipole, Da:	6.41
IP(EA), eV:	-8.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-(2,6-difluoroanilino)-1-(methylamino)prop-2-enyl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCCOCCC(C)C(C)C1=CC(=O)C2=C(O1)C(=CS2)C3=CC(=C(C=C3)NC4=NC=C5C=C(N(C5=N4)C6CCCC6)C(=O)CC(C)CC)C(=O)OC

DOS

IR

Vibrations