Geometry & MOs

Info

ID:

442844

PubChem CID:

135256536

Reduced:

IN2O2C11H13 (1)

Stoich.:

AB2C2D11E13 (1)

Weight, g/mol:

524.227099

ΔHf, kcal/mol:

-8.49

Dipole, Da:

2.36

IP(EA), eV:

-9.07(-1.12)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[(10R,11E,14S)-5-(methoxycarbonylamino)-10-methyl-9-oxo-18,21-dioxa-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,11,15,17(22)-heptaen-14-yl]carbamate

Drug info:

PubChemData

Smile

C=CC[C@@H](C1=NC2=C(C(=C1)I)OCCO2)N

DOS

IR

Vibrations