Geometry & MOs

Info

ID:

191465

PubChem CID:

78149097

Reduced:

OSN2C18H20 (1)

Stoich.:

ABC2D18E20 (1)

Weight, g/mol:

1285.757387

ΔHf, kcal/mol:

25.95

Dipole, Da:

1.5

IP(EA), eV:

 -8.88(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[[1-[[1-[[1,5-dioxo-1-[[1-oxo-1-[[2-phenyl-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)ethyl]amino]hexan-2-yl]amino]-5-(tritylamino)pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CC(=CCSC(=N)N)C1=CC=CC(=C1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations