Geometry & MOs

Info

ID:	245624
PubChem CID:	99455634
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-135.11
Dipole, Da:	4.24
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-nitro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations