Geometry & MOs

Info

ID:	209823
PubChem CID:	80727099
Reduced:	N2O2S3C14H22 (1)
Stoich.:	A2B2C3D14E22 (1)
Weight, g/mol:	295.208219
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	3.8
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1(CCCS1)CNS(=O)(=O)CCSC2=CC=C(C=C2)N

DOS

IR

Vibrations