Geometry & MOs

Info

ID:	448636
PubChem CID:	135292398
Reduced:	BrNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	275.01571
ΔH_f, kcal/mol:	-66.95
Dipole, Da:	3.56
IP(EA), eV:	-8.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(Z)-2-bromo-1-(cyclopropylmethoxy)prop-1-enyl]iminopropanoic acid

Drug info:

PubChemData

Smile

CC(C)CSC1=C(C=CC(N1C)C(=O)OC)Br

DOS

IR

Vibrations