Geometry & MOs

Info

ID:	398024
PubChem CID:	135031403
Reduced:	O2S13C39H42 (1)
Stoich.:	A2B13C39D42 (1)
Weight, g/mol:	439.16444
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	2.0
IP(EA), eV:	-7.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(azidomethyl)-5-[4-[(2-methoxynaphthalen-1-yl)diazenyl]phenoxy]phenyl]methanol

Drug info:

PubChemData

Smile

CC1(SC2=CC3=C(C(=C2S1)C(C4=C5C(=CC6=C4SC(S6)(C)C)SC(S5)(C)C)C7=C8C(=C(C9=C7SC(S9)(C)C)SCC(=O)O)SC(S8)(C)C)SC(S3)(C)C)C

DOS

IR

Vibrations