Geometry & MOs

Info

ID:	18703
PubChem CID:	546719
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	40.75
Dipole, Da:	6.47
IP(EA), eV:	-8.89(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-tert-butyl-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(C)(C)N=C(NN=CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])S

DOS

IR

Vibrations