Geometry & MOs

Info

ID:

125815

PubChem CID:

50939976

Reduced:

N11O12C41H73 (1)

Stoich.:

A11B12C41D73 (1)

Weight, g/mol:

534.141846

ΔHf, kcal/mol:

-586.9

Dipole, Da:

12.03

IP(EA), eV:

 -9.65(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-chloro-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N

DOS

IR

Vibrations