Geometry & MOs

Info

ID:	366569
PubChem CID:	127320098
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	5.67
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN=C2)C(=O)NCC3(CCSC3)N4CCOCC4

DOS

IR

Vibrations