Geometry & MOs

Info

ID:	29315
PubChem CID:	832925
Reduced:	FSN2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-147.58
Dipole, Da:	1.24
IP(EA), eV:	-9.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-4-(propanoylamino)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)N([C@H]1C2=CC=CC=C2F)C(=O)C)C

DOS

IR

Vibrations