Geometry & MOs

Info

ID:	48403
PubChem CID:	10544854
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	336.031096
ΔH_f, kcal/mol:	-14.08
Dipole, Da:	4.71
IP(EA), eV:	-8.07(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-N-(morpholine-4-carbothioyl)-4-(trifluoromethyl)benzenecarboximidoyl chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H]3C[C@@H]3C4=CC=CC=C4

DOS

IR

Vibrations