Geometry & MOs

Info

ID:	130958
PubChem CID:	51135510
Reduced:	OSF3N5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	408.120047
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	6.29
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCN1C(=NN=C1SCC2=NC=CN2CC(F)(F)F)C3=CC=C(C=C3)OC

DOS

IR

Vibrations