Geometry & MOs

Info

ID:	372945
PubChem CID:	131307336
Reduced:	SN3O3H7C9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	4.02
IP(EA), eV:	-9.39(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-bromo-7-methoxy-3,4-dihydro-2H-chromen-3-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1)C2=NN=CC(=C2)C(=O)O

DOS

IR

Vibrations