Geometry & MOs

Info

ID:

441739

PubChem CID:

135242889

Reduced:

OS7H28C50 (1)

Stoich.:

AB7C28D50 (1)

Weight, g/mol:

307.153206

ΔHf, kcal/mol:

246.96

Dipole, Da:

0.93

IP(EA), eV:

 -8.37(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)/C=C/C4=CC5=C(C=C4)C6=C(O5)C7=C(C=C6)C8=C(C=C7)C9=C(S8)C=C(C=C9)/C=C/C1=CC=C(S1)C1=CC=C(S1)C1=CC=CS1

DOS

IR

Vibrations