Geometry & MOs

Info

ID:	413130
PubChem CID:	135086074
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	366.088557
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	3.56
IP(EA), eV:	-9.46(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(5-hydroxypent-3-ynyl)-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(CC=O)CC#CCOCC2=CC=CC=C2)C

DOS

IR

Vibrations