Geometry & MOs

Info

ID:

440811

PubChem CID:

135231608

Reduced:

OSN2H23C37 (2)

Stoich.:

ABC2D23E37 (2)

Weight, g/mol:

344.194737

ΔHf, kcal/mol:

268.3

Dipole, Da:

2.39

IP(EA), eV:

 -8.03(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-ethyl-9-methyl-6,12-dioxo-1,5-dioxa-9-azacyclododec-3-yl)methyl 3-aminopropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)C5=C(S4)C=CC(=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC2=C(C=C1)C(=O)C1=C(S2)C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations