Geometry & MOs

Info

ID:	152319
PubChem CID:	56311226
Reduced:	FSN3O3C21H28 (1)
Stoich.:	ABC3D3E21F28 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	6.77
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[(5-nitrothiophen-3-yl)methyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)C(C)C

DOS

IR

Vibrations