Geometry & MOs

Info

ID:	427159
PubChem CID:	135155769
Reduced:	O2N4H26C31 (1)
Stoich.:	A2B4C26D31 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	54.24
Dipole, Da:	6.87
IP(EA), eV:	-8.61(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2-methylpropan-2-yl)oxycarbonylcarbamothioylamino]methyl]benzoate

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations