Geometry & MOs

Info

ID:	237652
PubChem CID:	92720180
Reduced:	ClFSN3O3H21C25 (1)
Stoich.:	ABCD3E3F21G25 (1)
Weight, g/mol:	490.167477
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	5.39
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2R)-2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(O1)SCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)OC4=CC=CC=C4F

DOS

IR

Vibrations