Geometry & MOs

Info

ID:

47148

PubChem CID:

10529981

Reduced:

NOH14C18 (2)

Stoich.:

ABC14D18 (2)

Weight, g/mol:

520.326085

ΔHf, kcal/mol:

214.47

Dipole, Da:

1.88

IP(EA), eV:

 -7.82(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-[[(2S)-4-methyl-1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

COC1=C2C=CC=CC=C2C(=C1)C=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=CC5=CC(=C6C5=CC=CC=C6)OC

DOS

IR

Vibrations