Geometry & MOs

Info

ID:	303362
PubChem CID:	124489571
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	409.143784
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	6.45
IP(EA), eV:	-9.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-4-(2,5-dimethylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@@H]2C3=C(COC3=O)N(C(=O)N2)CC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations