Geometry & MOs

Info

ID:	351096
PubChem CID:	127279654
Reduced:	SO2N5C17H29 (1)
Stoich.:	AB2C5D17E29 (1)
Weight, g/mol:	395.235497
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	3.84
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC(=O)N2CCN(CC2)CC3=CSC=N3)C

DOS

IR

Vibrations