Geometry & MOs

Info

ID:	232176
PubChem CID:	87575646
Reduced:	O2H30C35 (1)
Stoich.:	A2B30C35 (1)
Weight, g/mol:	375.146203
ΔH_f, kcal/mol:	64.12
Dipole, Da:	3.55
IP(EA), eV:	-9.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-2-amino-4-chloro-7-[(4-ethyl-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

C=CC(C1=CC=C(C=C1)C2C=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C(C=C)O)O

DOS

IR

Vibrations