Geometry & MOs

Info

ID:

170871

PubChem CID:

75289491

Reduced:

BrN4O4C24H33 (1)

Stoich.:

AB4C4D24E33 (1)

Weight, g/mol:

649.332293

ΔHf, kcal/mol:

-165.66

Dipole, Da:

4.82

IP(EA), eV:

 -9.28(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[8-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-7-[3,3-dimethyl-2-(oxolan-3-yloxycarbonylamino)butanoyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)N3CCCC3C(=O)N4CCOCC4)C

DOS

IR

Vibrations