Geometry & MOs

Info

ID:	173238
PubChem CID:	75611625
Reduced:	SCl2N3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	114.36
Dipole, Da:	5.96
IP(EA), eV:	-8.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(=NNC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations