Geometry & MOs

Info

ID:	433264
PubChem CID:	135173401
Reduced:	SN3O6C27H31 (1)
Stoich.:	AB3C6D27E31 (1)
Weight, g/mol:	407.216869
ΔH_f, kcal/mol:	-202.96
Dipole, Da:	9.89
IP(EA), eV:	-8.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NZ)-N-[[3-(methylcarbamoylamino)anilino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=CC(=CC=C3)C(=O)N(C)C)OC

DOS

IR

Vibrations