Geometry & MOs

Info

ID:	68261
PubChem CID:	46508075
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	413.06009
ΔH_f, kcal/mol:	-150.07
Dipole, Da:	2.73
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations