Geometry & MOs

Info

ID:

194719

PubChem CID:

78580735

Reduced:

S2N3O7H27C35 (1)

Stoich.:

A2B3C7D27E35 (1)

Weight, g/mol:

665.129043

ΔHf, kcal/mol:

-174.45

Dipole, Da:

3.97

IP(EA), eV:

 -8.62(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[(8S)-8-[4-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenyl]-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-11-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3[C@H](C4=C(NC(=O)S4)SC3C2=O)C5=CC=C(C=C5)OCC(=O)NC6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations