Geometry & MOs

Info

ID:	417440
PubChem CID:	135094048
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	306.241962
ΔH_f, kcal/mol:	-171.26
Dipole, Da:	4.91
IP(EA), eV:	-9.25(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations