Geometry & MOs

Info

ID:	34506
PubChem CID:	7978587
Reduced:	ClN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	397.095997
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	7.56
IP(EA), eV:	-9.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)N)Cl

DOS

IR

Vibrations