Geometry & MOs

Info

ID:	242979
PubChem CID:	99214714
Reduced:	OSN6C23H34 (1)
Stoich.:	ABC6D23E34 (1)
Weight, g/mol:	442.215095
ΔH_f, kcal/mol:	21.9
Dipole, Da:	3.33
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3S)-3-carbamoylpiperidin-1-yl]phenyl]methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCNC(=O)N2CCN(CC2)CC3=CSC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations