Geometry & MOs

Info

ID:	300278
PubChem CID:	121270133
Reduced:	ON3H13C14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	465.201013
ΔH_f, kcal/mol:	62.17
Dipole, Da:	3.06
IP(EA), eV:	-8.83(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)N2CC3(C2)CN(C3)C4=CC(=CN=C4)N5C(=O)C6=C(C5(C)C)C=C(C=C6)C#N

DOS

IR

Vibrations