Geometry & MOs

Info

ID:	137177
PubChem CID:	52166962
Reduced:	BrSO2N6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	387.100125
ΔH_f, kcal/mol:	26.3
Dipole, Da:	5.24
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC(=NC=C2C(=O)OC)N)C3=CC=C(C=C3)Br

DOS

IR

Vibrations