Geometry & MOs

Info

ID:	333929
PubChem CID:	127252481
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	370.180504
ΔH_f, kcal/mol:	-166.42
Dipole, Da:	11.18
IP(EA), eV:	-9.35(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-4-[(2-fluorophenyl)methyl]-3a-methyl-1-(1-methylimidazole-2-carbonyl)-3,6,7,7a-tetrahydro-2H-pyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1C[C@@]2(CN(CC[C@@H]2[C@H]1C3=CC=CC=C3)C(=O)C)NC(=O)C

DOS

IR

Vibrations