Geometry & MOs

Info

ID:	233935
PubChem CID:	92252598
Reduced:	ClSN2O4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	-133.22
Dipole, Da:	2.35
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(N1CC(=O)NC[C@@H]3CCCO3)C=C(S2)Cl

DOS

IR

Vibrations