Geometry & MOs

Info

ID:	419427
PubChem CID:	135108161
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	559.290703
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	5.05
IP(EA), eV:	-9.23(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-[4-(2-methyltetrazol-5-yl)benzoyl]-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CC(C2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations