Geometry & MOs

Info

ID:	64545
PubChem CID:	29202806
Reduced:	ClON3S3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	63.56
Dipole, Da:	4.6
IP(EA), eV:	-8.73(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C1=CC=CC=C1)SC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations