Geometry & MOs

Info

ID:	430310
PubChem CID:	135170374
Reduced:	NSO3H19C23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	448.270224
ΔH_f, kcal/mol:	-27.29
Dipole, Da:	8.56
IP(EA), eV:	-8.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phosphanyl N-[[5-[[4-(4-hydroxybutan-2-yloxy)-2-methylbutan-2-yl]oxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C(C(S2)C4=CC(=CC=C4)O)C(=O)C5=CCCC=C53

DOS

IR

Vibrations