Geometry & MOs

Info

ID:	47246
PubChem CID:	10530893
Reduced:	NO4C35H61 (1)
Stoich.:	AB4C35D61 (1)
Weight, g/mol:	557.997416
ΔH_f, kcal/mol:	-292.4
Dipole, Da:	3.73
IP(EA), eV:	-9.83(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;(NE,2Z)-N-[(2-fluorophenyl)methylidene]furan-2-carbohydrazonothioate

Drug info:

PubChemData

Smile

CCC(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)OC(=O)N5C[C@@H](C[C@H]5CO)O)C)C)C(C)C

DOS

IR

Vibrations