Geometry & MOs

Info

ID:	265045
PubChem CID:	103507892
Reduced:	BrSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-34.73
Dipole, Da:	4.61
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(1-methylpyrrolidin-3-yl)amino]-5-propanoylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(S1)NCC2=CC(=CC=C2)Br)OC)N

DOS

IR

Vibrations