Geometry & MOs

Info

ID:	159946
PubChem CID:	57299212
Reduced:	N4O5C38H40 (1)
Stoich.:	A4B5C38D40 (1)
Weight, g/mol:	630.456568
ΔH_f, kcal/mol:	-145.19
Dipole, Da:	9.05
IP(EA), eV:	-8.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bis(2,4-ditert-butylphenyl)phosphoryloxy-2,4-ditert-butylbenzene

Drug info:

PubChemData

Smile

CCN([C@@H](CC1=CC2=CC=CC=C2C=C1)CC(=O)N)C(=O)[C@H](CCCC(=O)O)NC(=O)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations