Geometry & MOs

Info

ID:	227704
PubChem CID:	87562265
Reduced:	AsO2N3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	530.151844
ΔH_f, kcal/mol:	73.8
Dipole, Da:	4.1
IP(EA), eV:	-6.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[3-(2-hydroxyethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CC1NC(C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3[As])C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations