Geometry & MOs

Info

ID:	82591
PubChem CID:	49856218
Reduced:	ClO4N6C30H35 (1)
Stoich.:	AB4C6D30E35 (1)
Weight, g/mol:	541.442344
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	10.88
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-decanoyloxy-2-(113C)nonanoyloxypropyl) decanoate

Drug info:

PubChemData

Smile

CCN(CCNC1=C2C=CC(=CC2=NC=C1)Cl)CC(=O)NCCNC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)N(C)C

DOS

IR

Vibrations