Geometry & MOs

Info

ID:	78786
PubChem CID:	49729326
Reduced:	ClFSO2N4H16C21 (1)
Stoich.:	ABCD2E4F16G21 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	3.54
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-N-thiophen-2-ylpiperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=O)N(C=N2)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)F

DOS

IR

Vibrations