Geometry & MOs

Info

ID:

327623

PubChem CID:

126690546

Reduced:

N5O6C38H39 (1)

Stoich.:

A5B6C38D39 (1)

Weight, g/mol:

703.265791

ΔHf, kcal/mol:

-90.78

Dipole, Da:

7.23

IP(EA), eV:

 -9.1(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]-N-[[4-[5-[4-(4-methylphenyl)phenyl]-1,3-oxazol-2-yl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=NC)O/N=C/C3=CC=C(C=C3)CN(CC(=O)O)C(=O)C4=CC=C(C=C4)NC(=O)CN5CCOCC5

DOS

IR

Vibrations