Geometry & MOs

Info

ID:

190609

PubChem CID:

78031375

Reduced:

SO3N8C30H32 (1)

Stoich.:

AB3C8D30E32 (1)

Weight, g/mol:

782.328879

ΔHf, kcal/mol:

4.02

Dipole, Da:

2.56

IP(EA), eV:

 -8.65(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[3-[1-[5-[4-[5-[2-[1-(2-carbamoyloxy-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethylamino]-2-oxo-1-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

CCC(CCC1=NC2=C(C=NN2C(=C1S(=O)(=O)C)N)C3=CN=C(C=C3)C4=CC=CC=C4)N(C)C(=O)C5=C(N=CC=C5)N

DOS

IR

Vibrations