Geometry & MOs

Info

ID:	401242
PubChem CID:	135050702
Reduced:	AlNS2C5H8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	4.58
Dipole, Da:	2.34
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-3-methyl-2-[[(Z)-(3-oxonaphthalen-2-ylidene)methyl]amino]butanamide

Drug info:

PubChemData

Smile

C[Al](C)SC1=NC=CS1

DOS

IR

Vibrations