Geometry & MOs

Info

ID:	179153
PubChem CID:	76442978
Reduced:	Cl2O3N5H29C30 (1)
Stoich.:	A2B3C5D29E30 (1)
Weight, g/mol:	772.365842
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	4.01
IP(EA), eV:	-9.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 15-hydroxy-14-(3-methoxy-3-oxopropyl)sulfanyl-15-[3-(2-trityltetrazol-5-yl)phenyl]pentadeca-10,12-dienoate

Drug info:

PubChemData

Smile

C1COC2=C(C1NC(CC3=CC(=CC=C3)Cl)C4=CN=CN4)C=CC=C2C(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations