Geometry & MOs

Info

ID:	36648
PubChem CID:	8010300
Reduced:	OSF2N5C12H13 (1)
Stoich.:	ABC2D5E12F13 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-65.13
Dipole, Da:	4.34
IP(EA), eV:	-9.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-butan-2-yl]phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)F)F)NC(=O)CSC2=NNC(=N2)N

DOS

IR

Vibrations