Geometry & MOs

Info

ID:	34612
PubChem CID:	7978732
Reduced:	N2O5C23H32 (1)
Stoich.:	A2B5C23D32 (1)
Weight, g/mol:	406.140783
ΔH_f, kcal/mol:	-191.13
Dipole, Da:	3.18
IP(EA), eV:	-8.57(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations