Geometry & MOs

Info

ID:	423020
PubChem CID:	135118771
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	-98.16
Dipole, Da:	7.05
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)C

DOS

IR

Vibrations