Geometry & MOs

Info

ID:	302226
PubChem CID:	124360363
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	2.69
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations