Geometry & MOs

Info

ID:	363313
PubChem CID:	127310730
Reduced:	O2S2N3C18H31 (1)
Stoich.:	A2B2C3D18E31 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-110.08
Dipole, Da:	2.47
IP(EA), eV:	-8.5(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethoxy-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations