Geometry & MOs

Info

ID:	338169
PubChem CID:	127258861
Reduced:	N4O4H20C23 (1)
Stoich.:	A4B4C20D23 (1)
Weight, g/mol:	687.22089
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	3.65
IP(EA), eV:	-9.03(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-methyl-2-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methylamino]butanoate;hydrobromide

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(=CC=C1)NC(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4/C=N/NO

DOS

IR

Vibrations