Geometry & MOs

Info

ID:	333906
PubChem CID:	127252458
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	6.01
IP(EA), eV:	-9.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,8aS)-1-(1H-imidazol-2-ylmethyl)-3a-methyl-2-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[3,2-b]azepin-5-one

Drug info:

PubChemData

Smile

C[C@]12C[C@H](N([C@H]1CCCC(=O)N2)S(=O)(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations