Geometry & MOs

Info

ID:

448136

PubChem CID:

135288707

Reduced:

ClOSN8H19C25 (1)

Stoich.:

ABCD8E19F25 (1)

Weight, g/mol:

605.053671

ΔHf, kcal/mol:

175.11

Dipole, Da:

5.67

IP(EA), eV:

 -8.69(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-(7-chloro-1,2-benzoxazol-3-yl)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=C(S6)Cl

DOS

IR

Vibrations