Geometry & MOs

Info

ID:	62025
PubChem CID:	26717097
Reduced:	ClO4N5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	6.83
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations