Geometry & MOs

Info

ID:	426718
PubChem CID:	135153532
Reduced:	ClOSF2N3H8C11 (1)
Stoich.:	ABCD2E3F8G11 (1)
Weight, g/mol:	422.024966
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	5.07
IP(EA), eV:	-9.39(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(thiomorpholin-4-ylmethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NC(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations