Geometry & MOs

Info

ID:	433877
PubChem CID:	135174020
Reduced:	ClSN2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	593.273715
ΔH_f, kcal/mol:	40.37
Dipole, Da:	2.54
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,5R)-3,3-dimethyl-5-[[1-[[2-methyl-1-[(2-methylphenyl)methoxy]propan-2-yl]amino]-2-oxo-3-phenoxypropoxy]methyl]-4-oxooxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)C2=NC3=C(S2)CNCC3

DOS

IR

Vibrations