Geometry & MOs

Info

ID:	418431
PubChem CID:	135104730
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	556.312166
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	4.48
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-23-methoxy-13-[3-(5-methyltetrazol-1-yl)propanoyl]-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCC(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations