Geometry & MOs

Info

ID:	265044
PubChem CID:	103507769
Reduced:	BrFOSN2H14C15 (1)
Stoich.:	ABCDE2F14G15 (1)
Weight, g/mol:	368.01941
ΔH_f, kcal/mol:	-20.95
Dipole, Da:	5.88
IP(EA), eV:	-8.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-[(3-bromophenyl)methylamino]-4-methoxythiophen-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=C(C=C(S2)NCC3=C(C=CC(=C3)Br)F)N

DOS

IR

Vibrations