Geometry & MOs

Info

ID:	306733
PubChem CID:	125236517
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	2.53
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,4S,8bS)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-(dimethylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2CC[C@@H]3C[C@H](O[C@@H]3C2)C(=O)NC4CC4

DOS

IR

Vibrations