Geometry & MOs

Info

ID:	136016
PubChem CID:	51966671
Reduced:	OCl2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	406.134028
ΔH_f, kcal/mol:	4.82
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752155
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2R)-2-acetamido-3-(3-methoxyphenyl)propanoyl]amino]-2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)CCC2=CC=C(C=C2)NC(=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations