Geometry & MOs

Info

ID:	208838
PubChem CID:	80592408
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	340.0245
ΔH_f, kcal/mol:	-92.58
Dipole, Da:	1.62
IP(EA), eV:	-8.11(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-carbamothioylcyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2(CCC2)/C(=N/O)/N)OC

DOS

IR

Vibrations