Geometry & MOs

Info

ID:

179395

PubChem CID:

76476357

Reduced:

BrON4C23H33 (1)

Stoich.:

ABC4D23E33 (1)

Weight, g/mol:

759.410818

ΔHf, kcal/mol:

-15.22

Dipole, Da:

3.15

IP(EA), eV:

 -8.15(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[1-(2-aminopropanoyl)-3-naphthalen-1-yl-2H-imidazol-4-yl]-1-[[2-hydroxy-5-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxohexan-3-yl]amino]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCN1CCCC2C1CC3=C(N(C4=CC(=CC2=C34)Br)NC(=O)N(CC)CC)C

DOS

IR

Vibrations