Geometry & MOs

Info

ID:	175272
PubChem CID:	75877270
Reduced:	N4O5C24H29 (1)
Stoich.:	A4B5C24D29 (1)
Weight, g/mol:	393.17605
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.197432
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-acetamido-4-fluorophenyl)carbamoylamino]-1-thiophen-3-ylethyl]-diethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NC1=C(C=C(C(=C1)OC)NC(=O)C2=CC=CC=C2)OC)C3=CC=CO3

DOS

IR

Vibrations