Geometry & MOs

Info

ID:

434986

PubChem CID:

135176153

Reduced:

ON2H13C14 (2)

Stoich.:

AB2C13D14 (2)

Weight, g/mol:

574.136088

ΔHf, kcal/mol:

35.55

Dipole, Da:

4.59

IP(EA), eV:

 -9.07(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-chloro-2-[2-chloro-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CCCC4)C5=C(C(=CC=C5)NC=O)C

DOS

IR

Vibrations