Geometry & MOs

Info

ID:

45200

PubChem CID:

10509221

Reduced:

ON2F3H17C21 (2)

Stoich.:

AB2C3D17E21 (2)

Weight, g/mol:

746.327542

ΔHf, kcal/mol:

-283.22

Dipole, Da:

10.15

IP(EA), eV:

 -8.35(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4S,7S)-5-[2-[4-[4-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]benzoyl]anilino]-2-oxoethyl]-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2N1CCCCC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)NCC(F)(F)F)NC(=O)C6=CC=CC=C6C7=CC=C(C=C7)C(F)(F)F

DOS

IR

Vibrations