Geometry & MOs

Info

ID:	310606
PubChem CID:	126583677
Reduced:	SF3N5O5C27H32 (1)
Stoich.:	AB3C5D5E27F32 (1)
Weight, g/mol:	217.04661
ΔH_f, kcal/mol:	-276.82
Dipole, Da:	4.95
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-bromo-N,3-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine

Drug info:

PubChemData

Smile

C[C@]1([C@@H]2CCN=[S@]2(=O)C(C(=N1)NC(=O)OC(C)(C)C)(C)C)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)OC(F)F)F

DOS

IR

Vibrations