Geometry & MOs

Info

ID:	302225
PubChem CID:	124360362
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	5.78
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]propanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4CC5=CC=CC=C5CN4C3=O

DOS

IR

Vibrations