Geometry & MOs

Info

ID:	346785
PubChem CID:	127271289
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-148.81
Dipole, Da:	1.96
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(oxolan-2-yl)propan-2-yl]-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations