Geometry & MOs

Info

ID:	155017
PubChem CID:	56314586
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	417.226371
ΔH_f, kcal/mol:	-148.74
Dipole, Da:	6.07
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoyl]piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCCN1C(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations