Geometry & MOs

Info

ID:	33407
PubChem CID:	7886302
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	6.68
IP(EA), eV:	-8.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations