Geometry & MOs

Info

ID:

168327

PubChem CID:

74952399

Reduced:

SN8O10C40H56 (1)

Stoich.:

AB8C10D40E56 (1)

Weight, g/mol:

834.385331

ΔHf, kcal/mol:

-418.29

Dipole, Da:

8.91

IP(EA), eV:

 -8.64(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[4-[4-[4-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-5-methyl-1H-imidazol-4-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC2=CNC3=CC=CC=C32)N

DOS

IR

Vibrations