Geometry & MOs

Info

ID:	362168
PubChem CID:	127305889
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-161.78
Dipole, Da:	5.97
IP(EA), eV:	-9.07(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCC(CC2)CNC(=O)CN3CCS(=O)(=O)CC3)C

DOS

IR

Vibrations