Geometry & MOs

Info

ID:	311522
PubChem CID:	126593087
Reduced:	BrFSO2N5C18H19 (1)
Stoich.:	ABCD2E5F18G19 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	4.98
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-2-amino-1-(2-ethenyl-4-propan-2-ylcyclobutyl)-3-iminoprop-1-enyl]-N,N-dimethylethanimidamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CN=C(S1)N2CCC(CC2)C(=O)C(=NC3=CC(=C(C=C3)F)Br)N

DOS

IR

Vibrations