Geometry & MOs

Info

ID:	127860
PubChem CID:	51020035
Reduced:	N3O7H29C31 (1)
Stoich.:	A3B7C29D31 (1)
Weight, g/mol:	860.570338
ΔH_f, kcal/mol:	-204.09
Dipole, Da:	5.15
IP(EA), eV:	-8.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@]12[C@](C[C@H](O1)N3C4=C(C=C(C=C4)COC)C5=C6C(=C7C8=C(N2C7=C53)C=CC(=C8)COC)CNC6=O)(C(=O)OC)O

DOS

IR

Vibrations