Geometry & MOs

Info

ID:	327700
PubChem CID:	126690774
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	448.14015
ΔH_f, kcal/mol:	6.86
Dipole, Da:	2.47
IP(EA), eV:	-9.16(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[[(2Z,4E,7E)-4-chloro-6-methylidene-1H-diazocin-7-yl]methylimino]-2-fluoro-1-(methylideneamino)prop-1-enyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

Drug info:

PubChemData

Smile

CC/C(=C/C)/C1=C(N=CC(=C1)C)C

DOS

IR

Vibrations