Geometry & MOs

Info

ID:	195163
PubChem CID:	78647064
Reduced:	FNSO3C22H26 (1)
Stoich.:	ABCD3E22F26 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	5.41
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[2-(2-cyanophenoxy)acetyl]oxyacetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)CSCC1=CC(=CC2=C1OC(OC2)C3=CC=CC=C3)F

DOS

IR

Vibrations