Geometry & MOs

Info

ID:	69312
PubChem CID:	46530641
Reduced:	NF2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	449.122084
ΔH_f, kcal/mol:	-186.85
Dipole, Da:	7.85
IP(EA), eV:	-8.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)/C=C/C(=O)NC3=CC(=C(C=C3)OC)OC(F)F

DOS

IR

Vibrations