Geometry & MOs

Info

ID:	169370
PubChem CID:	75093669
Reduced:	S2O4C33H52 (1)
Stoich.:	A2B4C33D52 (1)
Weight, g/mol:	530.21409
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	5.03
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-azido-6-(3,5-difluorophenoxy)-2-methoxy-4-[(4-methoxyphenyl)methoxy]hexyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

CC(C)C(=O)C12C=CC(C(C1=O)(CC(C2(C)CCCC(C)(C)OC)CC=C(C)C)CC=C(C)C)SC(=O)SC

DOS

IR

Vibrations