Geometry & MOs

Info

ID:	176753
PubChem CID:	76094233
Reduced:	N2F3O4C33H37 (1)
Stoich.:	A2B3C4D33E37 (1)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-255.0
Dipole, Da:	9.04
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,2-dimethyl-4-(methylamino)-4-oxobutyl]amino]-4-oxo-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)N(C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)C=CC7=CC(=CC=C7)C(F)(F)F

DOS

IR

Vibrations