Geometry & MOs

Info

ID:

189128

PubChem CID:

77820577

Reduced:

SN5O8C32H41 (1)

Stoich.:

AB5C8D32E41 (1)

Weight, g/mol:

549.316249

ΔHf, kcal/mol:

-278.38

Dipole, Da:

8.4

IP(EA), eV:

 -8.95(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[[1-[2-[(3-amino-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NCCO2)NC(=O)OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C

DOS

IR

Vibrations