Geometry & MOs

Info

ID:	265048
PubChem CID:	103508151
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-33.18
Dipole, Da:	9.29
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-cyclopropyl-5-(4-methylhexan-2-ylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=C(C(=C(S2)C#N)N)C(=O)N)C

DOS

IR

Vibrations