Geometry & MOs

Info

ID:	416003
PubChem CID:	135089008
Reduced:	ClSN2O4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	4.07
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(1-benzoxepin-4-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)Cl

DOS

IR

Vibrations