Geometry & MOs

Info

ID:	264064
PubChem CID:	103423620
Reduced:	OSN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	258.086056
ΔH_f, kcal/mol:	4.52
Dipole, Da:	5.13
IP(EA), eV:	-8.19(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=C(C=C(S1)NC2CC2)N

DOS

IR

Vibrations