Geometry & MOs

Info

ID:	187191
PubChem CID:	77542493
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	489.11509
ΔH_f, kcal/mol:	-67.32
Dipole, Da:	4.54
IP(EA), eV:	-8.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-bromoethoxy)-4-oxobutanoyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=CC=CC=C3N(S2(O)O)CCC(CNC4CC4)OC

DOS

IR

Vibrations