Geometry & MOs

Info

ID:	407193
PubChem CID:	135079518
Reduced:	NSO2C13H15 (2)
Stoich.:	ABC2D13E15 (2)
Weight, g/mol:	368.11207
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	3.11
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-methoxy-3-[4-nitro-N-(2-phenylethyl)anilino]-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC#CCN(CC(=C)CN(CC#CC)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations