Geometry & MOs

Info

ID:	265007
PubChem CID:	103507021
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	5.82
IP(EA), eV:	-8.13(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(4-methylpentylamino)-4-propan-2-yloxythiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCCNC1=CC(=C(S1)C(=O)OC)N

DOS

IR

Vibrations