Geometry & MOs

Info

ID:	165073
PubChem CID:	74494826
Reduced:	N3O5C19H24 (1)
Stoich.:	A3B5C19D24 (1)
Weight, g/mol:	388.169488
ΔH_f, kcal/mol:	-80.35
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.025254
Charge, e:	1

Chem-info

IUPAC name:

[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+](C)CCOC2=CC=CC=C2

DOS

IR

Vibrations