Geometry & MOs

Info

ID:	176134
PubChem CID:	76000265
Reduced:	SO2N6C21H32 (1)
Stoich.:	AB2C6D21E32 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-29.05
Dipole, Da:	4.64
IP(EA), eV:	-8.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-7-(2-phenylethyl)-2-sulfanylidene-1,4a,5,7,8,8a-hexahydropyrano[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CCCNC(=O)CN2C(=O)C3CC4=C(N3C(=N2)C)C=CS4

DOS

IR

Vibrations