Geometry & MOs

Info

ID:	155811
PubChem CID:	56367647
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-128.14
Dipole, Da:	1.85
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations