Geometry & MOs

Info

ID:

176683

PubChem CID:

76082620

Reduced:

SN13O15C52H79 (1)

Stoich.:

AB13C15D52E79 (1)

Weight, g/mol:

600.304681

ΔHf, kcal/mol:

-682.29

Dipole, Da:

14.51

IP(EA), eV:

 -9.42(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 5-[2,2-diethoxyethyl-(2-oxo-2-phenylmethoxyethyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(C(CCCN=C(N)N)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N5CCCC5C(=O)O)C(=O)CNC(=O)C)C

DOS

IR

Vibrations