Geometry & MOs

Info

ID:	265618
PubChem CID:	103533648
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	272.079491
ΔH_f, kcal/mol:	-18.55
Dipole, Da:	7.41
IP(EA), eV:	-8.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-(3-methoxypyrrolidin-1-yl)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCC(C2)OC)C(=S)N

DOS

IR

Vibrations