Geometry & MOs

Info

ID:	440955
PubChem CID:	135232439
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	461.033425
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	9.34
IP(EA), eV:	-8.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(17-oxo-6-phosphonooxy-14-oxa-3-thia-10-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4(9),5,7,15,18,20-heptaen-18-yl)acetic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)COC=O)N3C1=C4C=C5C=CC(=O)C=C5OC4CC3)C

DOS

IR

Vibrations