Geometry & MOs

Info

ID:	342932
PubChem CID:	127266095
Reduced:	NSO4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-173.2
Dipole, Da:	4.06
IP(EA), eV:	-9.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoylamino]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)N(CC(CO)O)C(C)C

DOS

IR

Vibrations