Geometry & MOs

Info

ID:	173671
PubChem CID:	75668002
Reduced:	O3N5C18H26 (1)
Stoich.:	A3B5C18D26 (1)
Weight, g/mol:	358.058555
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	5.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761256
Charge, e:	-1

Chem-info

IUPAC name:

2-carbamimidoylimino-5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5H-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CCN1CC[N+](=C2NC(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC)CC1

DOS

IR

Vibrations