Geometry & MOs

Info

ID:	301822
PubChem CID:	123096875
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	534.193691
ΔH_f, kcal/mol:	16.57
Dipole, Da:	5.68
IP(EA), eV:	-9.0(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=NC=C2)SCC3=CC=C(O3)C(=O)OC(C)C

DOS

IR

Vibrations