Geometry & MOs

Info

ID:	61240
PubChem CID:	26707276
Reduced:	FSN3O4C24H28 (1)
Stoich.:	ABC3D4E24F28 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-185.79
Dipole, Da:	4.0
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[2-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations