Geometry & MOs

Info

ID:	232955
PubChem CID:	87577808
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	377.125467
ΔH_f, kcal/mol:	-151.92
Dipole, Da:	2.38
IP(EA), eV:	-10.17(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)OC(C)(C)CO

DOS

IR

Vibrations