Geometry & MOs

Info

ID:	322706
PubChem CID:	126670860
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	446.205337
ΔH_f, kcal/mol:	4.19
Dipole, Da:	2.32
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-1-[2-[methylamino-[(3Z)-penta-1,3-dien-2-yl]amino]acetyl]-N-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2CCSC2=N

DOS

IR

Vibrations