Geometry & MOs

Info

ID:	151710
PubChem CID:	56269784
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	447.180564
ΔH_f, kcal/mol:	-6.37
Dipole, Da:	4.73
IP(EA), eV:	-8.29(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC4=CC=CC=C4NC(=O)C5=NN(C(=O)C=C5)C6=CC=CC=C6

DOS

IR

Vibrations