Geometry & MOs

Info

ID:	184872
PubChem CID:	77222237
Reduced:	S2O4N5C18H23 (1)
Stoich.:	A2B4C5D18E23 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-130.49
Dipole, Da:	2.73
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azepan-3-yl)-2-(carbamoylamino)-5-ethylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)C2=CC(=C(S2)NC(=O)N)C(=O)NC3CCCNC3

DOS

IR

Vibrations