Geometry & MOs

Info

ID:	158244
PubChem CID:	56463222
Reduced:	OS2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	410.25292
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	5.42
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC2CCN(CC2)CC3=CC=CS3

DOS

IR

Vibrations