Geometry & MOs

Info

ID:	34469
PubChem CID:	7978510
Reduced:	SN4O4H14C18 (1)
Stoich.:	AB4C4D14E18 (1)
Weight, g/mol:	369.181919
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	4.05
IP(EA), eV:	-9.15(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations