Geometry & MOs

Info

ID:

135234

PubChem CID:

51837966

Reduced:

N2O5C31H40 (1)

Stoich.:

A2B5C31D40 (1)

Weight, g/mol:

478.246772

ΔHf, kcal/mol:

-184.17

Dipole, Da:

5.16

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@@H]([C@H](C)C2=CC=CC=C2)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations