Geometry & MOs

Info

ID:	322718
PubChem CID:	126670896
Reduced:	ON2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	605.16751
ΔH_f, kcal/mol:	-23.33
Dipole, Da:	1.95
IP(EA), eV:	-7.92(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[3-[2-chloro-5-(cyclopropylsulfamoyl)phenyl]-2-fluorophenyl]-4-fluoro-1-[2-[(methylideneamino)-[(3Z)-penta-1,3-dien-2-yl]amino]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\NC(=NC)C)/OC

DOS

IR

Vibrations