Geometry & MOs

Info

ID:	300477
PubChem CID:	121296452
Reduced:	C2N4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	527.113805
ΔH_f, kcal/mol:	124.49
Dipole, Da:	1.81
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-2-(3-fluorothiophen-2-yl)-5-methoxycarbonyloxy-4-methyl-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C=C(NC(N1)N=NN)N=NN

DOS

IR

Vibrations