Geometry & MOs

Info

ID:	150633
PubChem CID:	53790326
Reduced:	S2N5O7C32H45 (1)
Stoich.:	A2B5C7D32E45 (1)
Weight, g/mol:	634.386954
ΔH_f, kcal/mol:	-324.98
Dipole, Da:	9.22
IP(EA), eV:	-8.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(2-butoxyphenyl)dodecan-4-yl 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](C(=O)O)C(C)(C)S)C(C)(C)S)N)C)O

DOS

IR

Vibrations