Geometry & MOs

Info

ID:

190610

PubChem CID:

78032043

Reduced:

O3N5C21H21 (2)

Stoich.:

A3B5C21D21 (2)

Weight, g/mol:

782.328879

ΔHf, kcal/mol:

-69.98

Dipole, Da:

8.84

IP(EA), eV:

 -8.78(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[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]ethyl-methylamino]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=NC=C(N1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4=CN=C(N4)C5CCCN5C(=O)C(C6=CC=CC=C6)OC(=O)N)NCC(=O)C(C7=CC=CC=C7)NC(=O)OC

DOS

IR

Vibrations