Geometry & MOs

Info

ID:	305140
PubChem CID:	124766572
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	426.393377
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	2.46
IP(EA), eV:	-8.17(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis[(2R)-butan-2-yl]-3-[6-[[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]carbamoyl]amino]hexyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)NC2=CC=C(C=C2)OC)O)O)O

DOS

IR

Vibrations