Geometry & MOs

Info

ID:	322482
PubChem CID:	126670243
Reduced:	O5N8C44H48 (1)
Stoich.:	A5B8C44D48 (1)
Weight, g/mol:	137.033292
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	3.58
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N,N-bis(sulfanyl)propan-2-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=N/C=C/C#CC2=C(C=C(C=C2)C3=CN=C(N3)[C@@H]4CCCN4C(=O)C(C5=CC=CC=C5)NC=O)C6=CC=CC=C6)N)NC(=O)OC

DOS

IR

Vibrations