Geometry & MOs

Info

ID:	335519
PubChem CID:	127254381
Reduced:	NSO4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	8.28
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CSC=C3)CC(=O)O)C(=O)N1

DOS

IR

Vibrations