Geometry & MOs

Info

ID:	236917
PubChem CID:	92716199
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	2.77
IP(EA), eV:	-8.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=C(C=C(C=C1C)C)C)N2C(=CC3=C2SC=C3)C(=O)OC

DOS

IR

Vibrations