Geometry & MOs

Info

ID:

435839

PubChem CID:

135192553

Reduced:

N7O9C30H43 (1)

Stoich.:

A7B9C30D43 (1)

Weight, g/mol:

615.265276

ΔHf, kcal/mol:

-401.47

Dipole, Da:

5.78

IP(EA), eV:

 -9.43(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[2-[[1-[[2-[(2-amino-2-oxoethoxy)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)CCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)NCCOCC(=O)N

DOS

IR

Vibrations