Geometry & MOs

Info

ID:	336072
PubChem CID:	127255079
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	337.132094
ΔH_f, kcal/mol:	-40.82
Dipole, Da:	5.68
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)CCCCCN2C=CC=C2

DOS

IR

Vibrations