Geometry & MOs

Info

ID:	208784
PubChem CID:	80586170
Reduced:	OSN4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	294.151433
ΔH_f, kcal/mol:	-13.77
Dipole, Da:	5.24
IP(EA), eV:	-8.65(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methylamino)-2-propan-2-yl-N-(thiolan-2-ylmethyl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)NCC2CCCS2

DOS

IR

Vibrations