Geometry & MOs

Info

ID:	141518
PubChem CID:	52888158
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	456.103831
ΔH_f, kcal/mol:	-120.47
Dipole, Da:	3.58
IP(EA), eV:	-8.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCCCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)OC

DOS

IR

Vibrations