Geometry & MOs

Info

ID:	218932
PubChem CID:	85090197
Reduced:	NSO4C32H37 (1)
Stoich.:	ABC4D32E37 (1)
Weight, g/mol:	531.0058
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	2.86
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[2-(2-chloroacetyl)hydrazinyl]-3-(4-hydroxy-3-iodophenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C#CC(C(C(=O)SC(C)(C)C)OCC1=CC=CC=C1)OC(=O)NC(C)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations