Geometry & MOs

Info

ID:	188817
PubChem CID:	77770573
Reduced:	N2O5C30H42 (1)
Stoich.:	A2B5C30D42 (1)
Weight, g/mol:	443.161184
ΔH_f, kcal/mol:	-233.64
Dipole, Da:	6.26
IP(EA), eV:	-9.31(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[(2-chlorophenyl)methyl]-2-oxopiperidin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)C(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)C(=O)OC(C)(C)C)O)(C(=O)N)N

DOS

IR

Vibrations