Geometry & MOs

Info

ID:	135963
PubChem CID:	51960139
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	474.153718
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	4.37
IP(EA), eV:	-9.4(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCNC(=O)C[C@H]2C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations