Geometry & MOs

Info

ID:	136283
PubChem CID:	52012399
Reduced:	ON2S2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	342.103814
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	2.16
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-propan-2-ylthieno[3,2-b]pyrrole-5-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)NC3CCSCC3)SC=C2

DOS

IR

Vibrations