Geometry & MOs

Info

ID:

381504

PubChem CID:

134972261

Reduced:

N5O7C30H35 (1)

Stoich.:

A5B7C30D35 (1)

Weight, g/mol:

481.221286

ΔHf, kcal/mol:

-261.75

Dipole, Da:

3.56

IP(EA), eV:

 -8.6(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[(6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,4-dioxo-3-phenyl-1,3-diazinan-1-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC[C@H]3CC(=O)N(C(=O)N3CC(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations