Geometry & MOs

Info

ID:	225636
PubChem CID:	87219104
Reduced:	BrFINOH10C12 (1)
Stoich.:	ABCDEF10G12 (1)
Weight, g/mol:	614.259663
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	2.89
IP(EA), eV:	-9.83(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[3-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-5-ethyl-2-propoxyimidazol-4-yl]methyl]-4-methyl-2-(sulfanylmethyl)pentanamide

Drug info:

PubChemData

Smile

C1CC1C(CC2=C(C=CC(=C2)Br)F)(N=C=O)I

DOS

IR

Vibrations