Geometry & MOs

Info

ID:	422065
PubChem CID:	135117121
Reduced:	N4O4C15H16 (1)
Stoich.:	A4B4C15D16 (1)
Weight, g/mol:	545.275053
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	3.28
IP(EA), eV:	-10.34(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-[4-(tetrazol-1-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

C1[C@H]([C@H](CO1)NC(=O)C2=CC(=O)NC(=O)N2)CC3=CC=NC=C3

DOS

IR

Vibrations