Geometry & MOs

Info

ID:	62157
PubChem CID:	26717796
Reduced:	ClSO3N4C23H25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	439.120192
ΔH_f, kcal/mol:	-87.89
Dipole, Da:	9.82
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=O)[C@@H](S1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations