Geometry & MOs

Info

ID:	371427
PubChem CID:	127346317
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	4.1
IP(EA), eV:	-8.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)NCC2(CCSC2)N3CCOCC3

DOS

IR

Vibrations