Geometry & MOs

Info

ID:

417993

PubChem CID:

135103251

Reduced:

N6O9C39H50 (1)

Stoich.:

A6B9C39D50 (1)

Weight, g/mol:

363.118753

ΔHf, kcal/mol:

-338.25

Dipole, Da:

2.98

IP(EA), eV:

 -9.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C(C4=C(O3)C=C(C=C4)OC)C)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations