Geometry & MOs

Info

ID:	353071
PubChem CID:	127284221
Reduced:	O2S2N3C16H19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	2.11
Dipole, Da:	4.99
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbutanoyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=C(SC=C2)C(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations