Geometry & MOs

Info

ID:	449958
PubChem CID:	135302813
Reduced:	SN6O9C40H62 (1)
Stoich.:	AB6C9D40E62 (1)
Weight, g/mol:	374.260966
ΔH_f, kcal/mol:	-391.42
Dipole, Da:	4.96
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hexan-3-yl-3-(4-pentan-3-ylphenyl)naphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@H]3CCN(C3)C(=O)[C@@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCNC=O

DOS

IR

Vibrations