Geometry & MOs

Info

ID:	434625
PubChem CID:	135175366
Reduced:	F2N3O4C25H37 (1)
Stoich.:	A2B3C4D25E37 (1)
Weight, g/mol:	733.357229
ΔH_f, kcal/mol:	-306.96
Dipole, Da:	3.45
IP(EA), eV:	-8.91(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3-(4-cyclohexyloxyphenyl)-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)OC3CCCCC3)(F)F)N

DOS

IR

Vibrations