Geometry & MOs

Info

ID:

219802

PubChem CID:

85164911

Reduced:

NSO8C32H41 (1)

Stoich.:

ABC8D32E41 (1)

Weight, g/mol:

599.339293

ΔHf, kcal/mol:

-269.94

Dipole, Da:

6.38

IP(EA), eV:

 -9.35(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[benzyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3CC4OC(C(O4)COCCOC)COCCOC

DOS

IR

Vibrations