Geometry & MOs

Info

ID:	166694
PubChem CID:	74723233
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	445.143333
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	18.97
IP(EA), eV:	-6.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(SC2=[N+](C(=O)N(C(=O)C12)CCO)CC[NH+]3CCCCC3)C(=O)C

DOS

IR

Vibrations