Geometry & MOs

Info

ID:	233936
PubChem CID:	92252603
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	-99.6
Dipole, Da:	2.9
IP(EA), eV:	-8.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2R)-1-(3-methoxyanilino)-1-oxobutan-2-yl]thieno[2,3-b]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC(=CC=C1)OC)N2C(=CC3=C2SC=C3)C(=O)OC

DOS

IR

Vibrations