Geometry & MOs

Info

ID:	335730
PubChem CID:	127254592
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	315.136511
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	6.11
IP(EA), eV:	-8.32(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC4=C(N3)C=C(C=C4)OC

DOS

IR

Vibrations