Geometry & MOs

Info

ID:	264065
PubChem CID:	103423764
Reduced:	ON2S2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	272.101706
ΔH_f, kcal/mol:	-54.03
Dipole, Da:	6.83
IP(EA), eV:	-8.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-4-methylsulfanyl-5-(pentan-3-ylamino)thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CNC1=C(C(=C(S1)C(=O)C)N)SC

DOS

IR

Vibrations