Geometry & MOs

Info

ID:	134828
PubChem CID:	51765159
Reduced:	SN3O5C28H33 (1)
Stoich.:	AB3C5D28E33 (1)
Weight, g/mol:	451.283492
ΔH_f, kcal/mol:	-152.47
Dipole, Da:	5.16
IP(EA), eV:	-9.34(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-hexylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)O)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations