Geometry & MOs

Info

ID:	34458
PubChem CID:	7978489
Reduced:	N4O5H14C17 (1)
Stoich.:	A4B5C14D17 (1)
Weight, g/mol:	420.102289
ΔH_f, kcal/mol:	-25.91
Dipole, Da:	2.39
IP(EA), eV:	-9.87(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations