Geometry & MOs

Info

ID:	129723
PubChem CID:	51073642
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	335.093977
ΔH_f, kcal/mol:	26.34
Dipole, Da:	6.03
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetyl-4-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2N=C(N=N2)COC3=CC=CC=C3

DOS

IR

Vibrations