Geometry & MOs

Info

ID:	368881
PubChem CID:	127330851
Reduced:	O2S2N3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	5.12
IP(EA), eV:	-8.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CS2)CCNC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations