Geometry & MOs

Info

ID:

137470

PubChem CID:

52212053

Reduced:

N3O3S3H14C16 (1)

Stoich.:

A3B3C3D14E16 (1)

Weight, g/mol:

328.153541

ΔHf, kcal/mol:

-7.08

Dipole, Da:

10.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.876103

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N=C(C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CS3)[O-])C

DOS

IR

Vibrations