Geometry & MOs

Info

ID:	176316
PubChem CID:	76032514
Reduced:	O4N8C15H22 (1)
Stoich.:	A4B8C15D22 (1)
Weight, g/mol:	493.188272
ΔH_f, kcal/mol:	-62.53
Dipole, Da:	7.21
IP(EA), eV:	-9.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-7-[2-[methyl(methylsulfonyl)amino]-4-(3-methylphenoxy)-6-propan-2-ylpyrimidin-5-yl]hept-6-enoic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CCCN=[N+]=[N-]

DOS

IR

Vibrations