Geometry & MOs

Info

ID:	38783
PubChem CID:	8137921
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-177.72
Dipole, Da:	5.21
IP(EA), eV:	-9.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N

DOS

IR

Vibrations