Geometry & MOs

Info

ID:	366503
PubChem CID:	127320019
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	5.14
IP(EA), eV:	-8.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)O

DOS

IR

Vibrations