Geometry & MOs

Info

ID:	308302
PubChem CID:	125326045
Reduced:	FN6H13C17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	433.14199
ΔH_f, kcal/mol:	139.75
Dipole, Da:	6.02
IP(EA), eV:	-9.81(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-4-amino-6-oxo-2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-5H-pyrimidin-5-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)C3=C(N=NC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations