Geometry & MOs

Info

ID:

188852

PubChem CID:

77774490

Reduced:

SN5O9C31H45 (1)

Stoich.:

AB5C9D31E45 (1)

Weight, g/mol:

599.216218

ΔHf, kcal/mol:

-347.41

Dipole, Da:

8.32

IP(EA), eV:

 -9.28(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-thiazol-2-ylmethyl 1-[2-[5-[(2-methylpropan-2-yl)oxy]-2,5-dioxo-3-(phenylmethoxycarbonylamino)pentyl]tetrazol-5-yl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN(C)C(=N)CCCC2=CC=C(C=C2)COC(=O)NC(C(OC)OC)C(=O)NCC(=O)OC(C)(C)C

DOS

IR

Vibrations