Geometry & MOs

Info

ID:	151485
PubChem CID:	53812510
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	710.240876
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	3.8
IP(EA), eV:	-9.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1,1,2,2-pentafluoro-5-methyl-4-[(2S)-2-[[(2S)-3-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]hex-3-en-3-yl] acetate

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=CC(=C1)Br)CN)OC

DOS

IR

Vibrations