Geometry & MOs

Info

ID:	265050
PubChem CID:	103508281
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	326.148656
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	6.06
IP(EA), eV:	-8.13(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-5-(4-methylhexan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC1=C(C(=C(S1)C(=O)N)N)C2CC2

DOS

IR

Vibrations