Geometry & MOs

Info

ID:	272110
PubChem CID:	103724215
Reduced:	N2S2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	40.42
Dipole, Da:	6.4
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[(4-cyanothiophen-2-yl)methylamino]methyl]pentan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NCC2=CC(=CS2)C#N

DOS

IR

Vibrations