Geometry & MOs

Info

ID:	311136
PubChem CID:	126589578
Reduced:	FNO3C23H30 (1)
Stoich.:	ABC3D23E30 (1)
Weight, g/mol:	611.17031
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	3.67
IP(EA), eV:	-8.47(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[(2S)-2-[[2-[[2-[3-[(2-bromoacetyl)amino]propanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CCC/C(=C\1/CC=C(C(=C1)C)F)/C(C)CN2C(=CC3=C(C2=O)COC[C@H]3O)C

DOS

IR

Vibrations