Geometry & MOs

Info

ID:

301814

PubChem CID:

123096752

Reduced:

SN4O5C29H32 (1)

Stoich.:

AB4C5D29E32 (1)

Weight, g/mol:

565.163119

ΔHf, kcal/mol:

-61.98

Dipole, Da:

7.56

IP(EA), eV:

 -8.77(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)COC2=C(C=C(C=C2)/C=N\N3C(=NN=C3SCC4=CC=C(O4)C(=O)OC(C)C)C)OC

DOS

IR

Vibrations