Geometry & MOs

Info

ID:	175639
PubChem CID:	75929573
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	450.139548
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	7.98
IP(EA), eV:	-8.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-methylpyridin-2-yl)amino]-3-oxopropyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NC3=CC=CC=C3CN4CCCC(C4)C(=O)N)C

DOS

IR

Vibrations