Geometry & MOs

Info

ID:	36614
PubChem CID:	8009846
Reduced:	ON4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	35.83
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.967180
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

DOS

IR

Vibrations