Geometry & MOs

Info

ID:	170434
PubChem CID:	75232429
Reduced:	O4C11H12 (2)
Stoich.:	A4B11C12 (2)
Weight, g/mol:	511.155722
ΔH_f, kcal/mol:	-270.77
Dipole, Da:	2.98
IP(EA), eV:	-8.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl] 2-amino-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C3C=C(C(C2C(=O)OC)C(=O)C3O)C=CC(=O)OC)OC

DOS

IR

Vibrations