Geometry & MOs

Info

ID:	180877
PubChem CID:	76698671
Reduced:	S2O6N7C21H29 (1)
Stoich.:	A2B6C7D21E29 (1)
Weight, g/mol:	590.303224
ΔH_f, kcal/mol:	-217.53
Dipole, Da:	4.13
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-5-[2-[4-[2-(4-propan-2-ylphenyl)propanoyloxy]phenyl]ethenyl]phenyl] 2-[4-(2-methylpropyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(=O)NC(CS)C(=O)OC1=CC=CC=C1C(=O)SCC(C(=O)N=C(N)N=C(N)N(C)C)NC(=O)C

DOS

IR

Vibrations