Geometry & MOs

Info

ID:	418747
PubChem CID:	135106683
Reduced:	N5O6C27H31 (1)
Stoich.:	A5B6C27D31 (1)
Weight, g/mol:	347.087453
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	2.72
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)NC3CCCN(C3)C(=O)C4=C(C(=CC=C4)OC)OCCCN5C=C(CO2)N=N5

DOS

IR

Vibrations