Geometry & MOs

Info

ID:	68004
PubChem CID:	46507588
Reduced:	BrO3N4C30H31 (1)
Stoich.:	AB3C4D30E31 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	2.62
IP(EA), eV:	-8.8(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)NC5CC4(OC6=C5C=C(C=C6)Br)C)C

DOS

IR

Vibrations