Geometry & MOs

Info

ID:	378940
PubChem CID:	134228457
Reduced:	ClFO2N7H23C25 (1)
Stoich.:	ABC2D7E23F25 (1)
Weight, g/mol:	362.125115
ΔH_f, kcal/mol:	108.11
Dipole, Da:	4.42
IP(EA), eV:	-7.33(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-amino-5-fluoropyrimidin-2-yl)amino]-2-methoxyphenyl]-4-(2-hydroxyethyl)tetrazol-5-one

Drug info:

PubChemData

Smile

CC#CC(=O)N1CC2[C@H]3[C@]2(C1)C[C@H]3N4C(=C(C(=N4)C5=CN(N=C5)CC6=C(C=CC(=C6)F)Cl)C(=O)N)N

DOS

IR

Vibrations