Geometry & MOs

Info

ID:	179597
PubChem CID:	76508271
Reduced:	N2F3O5H21C24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	527.372307
ΔH_f, kcal/mol:	-257.83
Dipole, Da:	2.21
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[3-(3,3-dimethylbutylamino)-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C(C1(C(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3)C(=O)O)C=CC(=O)OCC(F)(F)F)C

DOS

IR

Vibrations