Geometry & MOs

Info

ID:	33815
PubChem CID:	7888248
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-15.79
Dipole, Da:	3.05
IP(EA), eV:	-8.87(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC=C(C=C4)C(=O)C

DOS

IR

Vibrations