Geometry & MOs

Info

ID:	449899
PubChem CID:	135302394
Reduced:	ClN3O4H24C27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	525.194694
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	4.04
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-[4-[(R)-(2-methyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=NC5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations