Geometry & MOs

Info

ID:	151394
PubChem CID:	53801188
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	383.103873
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	5.79
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R)-16-hydroxy-14-methoxy-6-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(N=C1)C(=O)S)C(C)(C)CN

DOS

IR

Vibrations