Geometry & MOs

Info

ID:	157686
PubChem CID:	56436467
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	6.0
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-oxo-2-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1=CC=C(C=C1)N2C=CN=C2SC

DOS

IR

Vibrations