Geometry & MOs

Info

ID:	173442
PubChem CID:	75638947
Reduced:	N2O5H25C28 (1)
Stoich.:	A2B5C25D28 (1)
Weight, g/mol:	265.079945
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769146
Charge, e:	-1

Chem-info

IUPAC name:

4,6-diphenyl-1,4-dihydropyrimidine-2-thiolate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)OC)[O-])OCC=C

DOS

IR

Vibrations