Geometry & MOs

Info

ID:

427268

PubChem CID:

135156544

Reduced:

N4O4C23H36 (1)

Stoich.:

A4B4C23D36 (1)

Weight, g/mol:

611.137862

ΔHf, kcal/mol:

-200.19

Dipole, Da:

5.96

IP(EA), eV:

 -8.34(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-chloro-2-[3-[3-[7-chloro-5-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-2-yl]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCN1CCC(C1)CCC2=NC3=C(CCCN3)C=C2)C(=O)O

DOS

IR

Vibrations