Geometry & MOs

Info

ID:	436327
PubChem CID:	135199001
Reduced:	SN3H49C52 (1)
Stoich.:	AB3C49D52 (1)
Weight, g/mol:	283.96036
ΔH_f, kcal/mol:	193.8
Dipole, Da:	3.38
IP(EA), eV:	-8.16(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(5-bromo-2-methylphenyl)-2-methylidenebut-3-enoyl chloride

Drug info:

PubChemData

Smile

C/C=C\C(=C/C(C)C1=C(C=CC2=C1SC3C2CCCC3)C(=NC)/C=C/C(=C\C=C)/C4=CC=C(C=C4)C5=NC6=C(C=CC7=C6N=C(C=C7)C8=CC=CC=C8)C=C5)\C

DOS

IR

Vibrations