Geometry & MOs

Info

ID:	34640
PubChem CID:	7978766
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	410.091246
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	0.85
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations