Geometry & MOs

Info

ID:	236986
PubChem CID:	92716625
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	414.053798
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	6.47
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)N[C@@H](C)CC

DOS

IR

Vibrations