Geometry & MOs

Info

ID:

448125

PubChem CID:

135288650

Reduced:

N6O8C45H78 (1)

Stoich.:

A6B8C45D78 (1)

Weight, g/mol:

538.049398

ΔHf, kcal/mol:

-411.38

Dipole, Da:

5.89

IP(EA), eV:

 -9.12(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenyl-N-(thiadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)CN[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations