Geometry & MOs

Info

ID:	302177
PubChem CID:	124360314
Reduced:	SN2O5C14H24 (1)
Stoich.:	AB2C5D14E24 (1)
Weight, g/mol:	401.231456
ΔH_f, kcal/mol:	-233.52
Dipole, Da:	4.95
IP(EA), eV:	-8.63(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methoxyphenyl)-N-[(2R)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)N[C@H](CCSC)C(=O)OC

DOS

IR

Vibrations