Geometry & MOs

Info

ID:	220585
PubChem CID:	85197905
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	3.56
IP(EA), eV:	-9.18(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(1-benzothiophen-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)N(C(=NC3CCCCC3)O2)C4=CC=CC=C4

DOS

IR

Vibrations