Geometry & MOs

Info

ID:	34509
PubChem CID:	7978596
Reduced:	SN2O3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	398.091246
ΔH_f, kcal/mol:	-72.63
Dipole, Da:	2.82
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations