Geometry & MOs

Info

ID:	30010
PubChem CID:	838879
Reduced:	ClSN4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	76.44
Dipole, Da:	6.57
IP(EA), eV:	-8.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-4-methyl-2-phenylfuro[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NNC(=S)N

DOS

IR

Vibrations