Geometry & MOs

Info

ID:

186391

PubChem CID:

77426883

Reduced:

N7O14C28H57 (1)

Stoich.:

A7B14C28D57 (1)

Weight, g/mol:

685.35092

ΔHf, kcal/mol:

-659.6

Dipole, Da:

3.03

IP(EA), eV:

 -9.4(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-1-oxo-1-(1-phenylpropan-2-ylamino)pentan-2-yl]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

C1CC(C(OC1CNCC(C(CO)CO)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C(C(C(CN)O)N)O)N)N

DOS

IR

Vibrations