Geometry & MOs

Info

ID:	436897
PubChem CID:	135212732
Reduced:	N3O3C29H39 (1)
Stoich.:	A3B3C29D39 (1)
Weight, g/mol:	423.277344
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	3.43
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(3-carbamoyl-4-propan-2-ylphenyl)hexan-2-yl]-5-propan-2-ylbenzoate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](N1C(=O)CN(C)C(=O)NC2CCCCC2)COC)C3=CC=C(C=C3)C4=CC=CC(=C4)C

DOS

IR

Vibrations