Geometry & MOs

Info

ID:	433684
PubChem CID:	135173824
Reduced:	ClO3N6H31C34 (1)
Stoich.:	AB3C6D31E34 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	4.94
IP(EA), eV:	-7.96(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butylsulfanyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]hydroxylamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=CC(=CN(C6=O)C)C=O)Cl

DOS

IR

Vibrations