Geometry & MOs

Info

ID:	423327
PubChem CID:	135119316
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	22.41
Dipole, Da:	5.05
IP(EA), eV:	-8.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CCC1=NC(=NC=C1C)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations