Geometry & MOs

Info

ID:	335703
PubChem CID:	127254565
Reduced:	SO3N6C16H22 (1)
Stoich.:	AB3C6D16E22 (1)
Weight, g/mol:	411.147744
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	7.61
IP(EA), eV:	-8.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCS2(=O)=O)N3C=NN=N3

DOS

IR

Vibrations