Geometry & MOs

Info

ID:

214775

PubChem CID:

85083619

Reduced:

NO6C37H51 (1)

Stoich.:

AB6C37D51 (1)

Weight, g/mol:

606.326479

ΔHf, kcal/mol:

-217.05

Dipole, Da:

2.32

IP(EA), eV:

 -8.95(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[1-[[1-[(2-ethoxy-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC1C=CC(=CC2C=CC3C(C2(C=CC(=CC=CC(=O)OC1C(=CC(C)NC(=O)C)C)C)C)CC(CC3OC(=O)C)OC)C

DOS

IR

Vibrations