Geometry & MOs

Info

ID:	236916
PubChem CID:	92716063
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	11.31
Dipole, Da:	3.21
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]thieno[2,3-b]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=CC=CC=C3N2)C(=O)NCCCC4=CC=CC=C4

DOS

IR

Vibrations