Geometry & MOs

Info

ID:	169980
PubChem CID:	75176268
Reduced:	NCl3C9H12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	390.024575
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	2.58
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonylethenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=C(C=C1)Cl)Cl)N.Cl

DOS

IR

Vibrations