Geometry & MOs

Info

ID:	443435
PubChem CID:	135259012
Reduced:	SF2O2N6H16C18 (1)
Stoich.:	AB2C2D6E16F18 (1)
Weight, g/mol:	398.08168
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	0.68
IP(EA), eV:	-8.95(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-5-bromo-2-formamido-3-methyl-N-(1,1,1-trifluoroheptan-4-yl)hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C(=NC=N4)SC=N5)CCC(CC3)(F)F

DOS

IR

Vibrations