Geometry & MOs

Info

ID:	238379
PubChem CID:	92741003
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	426.101621
ΔH_f, kcal/mol:	-52.36
Dipole, Da:	3.44
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-methoxy-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C3=CC(=NN3C[C@@]2(C)C(=O)NCCC(C)C)C4=CC=CO4

DOS

IR

Vibrations