Geometry & MOs

Info

ID:	223843
PubChem CID:	85335648
Reduced:	S4O5N10C19H20 (1)
Stoich.:	A4B5C10D19E20 (1)
Weight, g/mol:	597.247284
ΔH_f, kcal/mol:	0.57
Dipole, Da:	17.77
IP(EA), eV:	-8.43(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-3,5-difluorobenzamide

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3NSC(=N3)N)N=O)C(=O)O)C=CSC4=NC(=NC(=C4)N)SCCN

DOS

IR

Vibrations