Geometry & MOs

Info

ID:	434671
PubChem CID:	135175464
Reduced:	NO2C14H29 (1)
Stoich.:	AB2C14D29 (1)
Weight, g/mol:	721.16328
ΔH_f, kcal/mol:	-146.2
Dipole, Da:	2.3
IP(EA), eV:	-9.75(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-1-[3-(4-bromophenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCOCCC(=O)NCCC(C)(C)C

DOS

IR

Vibrations