Geometry & MOs

Info

ID:	34494
PubChem CID:	7978545
Reduced:	SN2O5C21H32 (1)
Stoich.:	AB2C5D21E32 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-211.08
Dipole, Da:	9.92
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCCC3CCCCC3

DOS

IR

Vibrations