Geometry & MOs

Info

ID:	308241
PubChem CID:	125324385
Reduced:	SO4N5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	360.098918
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	5.15
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-3-(4-chlorophenyl)-7-imino-2-(methoxymethyl)-6H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[C@@H]2C(=NC(=NC2=O)SCC(=O)NCC3=CC=CO3)N

DOS

IR

Vibrations