Geometry & MOs

Info

ID:	438339
PubChem CID:	135228072
Reduced:	N2O3C39H48 (1)
Stoich.:	A2B3C39D48 (1)
Weight, g/mol:	337.189792
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	2.48
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl N-methylcarbamodithioate

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=C(C=C(C=C2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C5CCCCCCCCC5)C6=NC(CO6)(C)C)C

DOS

IR

Vibrations