Geometry & MOs

Info

ID:	426225
PubChem CID:	135142794
Reduced:	NS2O4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	365.13543
ΔH_f, kcal/mol:	-129.33
Dipole, Da:	5.93
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-[(4-ethylphenyl)methoxy]-3-methylhept-2-en-2-yl]ethanimidoyl bromide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)C2=CC=CC=C2O1)CC3=C(SC(=C3)CC(C)(C)C(=O)O)C

DOS

IR

Vibrations