Geometry & MOs

Info

ID:	179633
PubChem CID:	76514177
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	414.111024
ΔH_f, kcal/mol:	-121.4
Dipole, Da:	3.21
IP(EA), eV:	-9.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylanilino)-6-oxo-2-(4-sulfamoylanilino)-5H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3(C(CCC(C3C(C2=O)O)(C)C)O)C)C=C

DOS

IR

Vibrations