Geometry & MOs

Info

ID:	158520
PubChem CID:	56464122
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	417.237604
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	3.15
IP(EA), eV:	-8.23(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-[3-(2-oxopyrrolidin-1-yl)propanoylamino]pyridin-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCC(CC2)C3=CNC4=C3C=C(C=C4)OC

DOS

IR

Vibrations