Geometry & MOs

Info

ID:

412115

PubChem CID:

135084989

Reduced:

OPN2C31H31 (1)

Stoich.:

ABC2D31E31 (1)

Weight, g/mol:

760.452348

ΔHf, kcal/mol:

56.29

Dipole, Da:

3.12

IP(EA), eV:

 -8.75(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-3-cyclohexyl-2-[[3-[[(2S)-3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]adamantane-1-carbonyl]amino]propanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)OP(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations