Geometry & MOs

Info

ID:	83861
PubChem CID:	49861992
Reduced:	O5N6C16H30 (1)
Stoich.:	A5B6C16D30 (1)
Weight, g/mol:	585.250872
ΔH_f, kcal/mol:	-154.41
Dipole, Da:	3.76
IP(EA), eV:	-9.74(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-hydroxy-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)[C@H](CC1CCCCC1)N

DOS

IR

Vibrations