Geometry & MOs

Info

ID:	439462
PubChem CID:	135229236
Reduced:	O6N8C23H24 (1)
Stoich.:	A6B8C23D24 (1)
Weight, g/mol:	402.332023
ΔH_f, kcal/mol:	-124.68
Dipole, Da:	4.64
IP(EA), eV:	-8.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-cyclobutyl-7-methylpentadecan-7-yl)sulfanyl-4-methylbenzene

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)ON1C(=O)CCC1=O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

DOS

IR

Vibrations