Geometry & MOs

Info

ID:	423928
PubChem CID:	135120788
Reduced:	OSN3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	4.66
IP(EA), eV:	-8.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]amino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SC2CCN(CC2)CC3=CN=CN3CCOC

DOS

IR

Vibrations