Geometry & MOs

Info

ID:	447021
PubChem CID:	135279589
Reduced:	FO2N7H26C33 (1)
Stoich.:	AB2C7D26E33 (1)
Weight, g/mol:	368.238516
ΔH_f, kcal/mol:	97.56
Dipole, Da:	9.79
IP(EA), eV:	-8.67(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-tetradecan-7-ylsulfonylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(CC7=CC=CC=C7)O)/C=C32)F

DOS

IR

Vibrations