Geometry & MOs

Info

ID:	438139
PubChem CID:	135227764
Reduced:	NC25H35 (1)
Stoich.:	AB25C35 (1)
Weight, g/mol:	399.171559
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	1.42
IP(EA), eV:	-7.7(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)sulfonylcarbamoyl]pentan-3-yloxy]propanoate

Drug info:

PubChemData

Smile

CCCCCCCC(CC)N1C2=CC=CC=C2C(C3=CC=CC=C31)(C)C

DOS

IR

Vibrations