Geometry & MOs

Info

ID:

435022

PubChem CID:

135177772

Reduced:

SF2N9O12C50H63 (1)

Stoich.:

AB2C9D12E50F63 (1)

Weight, g/mol:

404.288637

ΔHf, kcal/mol:

-524.96

Dipole, Da:

5.16

IP(EA), eV:

 -8.38(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]-6-methyloctanamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)N)C(=O)NC(CCN(C(C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)C(=O)NCCS(=O)CCNC(=C)[C@@H](CCC(=O)O)NC(=O)CN4C(=O)C=CC4=O

DOS

IR

Vibrations