Geometry & MOs

Info

ID:	238275
PubChem CID:	92729931
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-124.56
Dipole, Da:	7.8
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-acetamidobenzoyl)-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations