Geometry & MOs

Info

ID:	70663
PubChem CID:	48413678
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	13.39
Dipole, Da:	4.98
IP(EA), eV:	-9.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations