Geometry & MOs

Info

ID:	436302
PubChem CID:	135198473
Reduced:	ClO2N6C20H25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	264.02958
ΔH_f, kcal/mol:	22.46
Dipole, Da:	3.6
IP(EA), eV:	-8.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromoethenyl 4-(dimethylamino)-N-methylbutanimidothioate

Drug info:

PubChemData

Smile

CN(CCCNC1CC1)/C=C(\C=N)/C2=CC(=C(C=C2)Cl)NC(=O)C3=COC(=N3)N

DOS

IR

Vibrations