Geometry & MOs

Info

ID:	39019
PubChem CID:	8138364
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	375.082367
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	5.15
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)CSC3=NC=NC4=CC=CC=C43

DOS

IR

Vibrations