Geometry & MOs

Info

ID:

390514

PubChem CID:

134999514

Reduced:

S3O5N7C19H22 (1)

Stoich.:

A3B5C7D19E22 (1)

Weight, g/mol:

357.0122

ΔHf, kcal/mol:

-40.43

Dipole, Da:

8.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.889182

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[N+]1=C(SC=C1)N(C)CC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)O

DOS

IR

Vibrations