Geometry & MOs

Info

ID:

185465

PubChem CID:

77302593

Reduced:

O4N6C39H44 (1)

Stoich.:

A4B6C39D44 (1)

Weight, g/mol:

495.203717

ΔHf, kcal/mol:

-84.27

Dipole, Da:

4.28

IP(EA), eV:

 -8.55(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-(4-amino-2-chlorophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)N6CCN(CC6)C(=O)C7CC7

DOS

IR

Vibrations