Geometry & MOs

Info

ID:

161943

PubChem CID:

57393127

Reduced:

NO2C13H13 (2)

Stoich.:

AB2C13D13 (2)

Weight, g/mol:

546.255229

ΔHf, kcal/mol:

-105.66

Dipole, Da:

4.32

IP(EA), eV:

 -9.53(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-benzyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enyl]carbamoylamino]-6-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations