Geometry & MOs

Info

ID:	342427
PubChem CID:	127265582
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	10.31
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylfuran-2-yl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1(CC1C(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations