Geometry & MOs

Info

ID:	189207
PubChem CID:	77827080
Reduced:	SN4O5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	555.392374
ΔH_f, kcal/mol:	-82.07
Dipole, Da:	1.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819297
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[1-(4-methylphenyl)ethyl]-2-propan-2-ylnonanamide

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C2=NN=C(O2)C3=CC(=CC(=C3)N(C)S(=O)[O-])C(=O)O)N

DOS

IR

Vibrations