Geometry & MOs

Info

ID:

392141

PubChem CID:

135013245

Reduced:

O2N3H21C25 (1)

Stoich.:

A2B3C21D25 (1)

Weight, g/mol:

516.294785

ΔHf, kcal/mol:

48.09

Dipole, Da:

3.88

IP(EA), eV:

 -8.78(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(3S,9aR)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-3-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/NC(=O)NC(C2=CC=CC=C2)C3=C(C=CC4=CC=CC=C43)O

DOS

IR

Vibrations