Geometry & MOs

Info

ID:	435395
PubChem CID:	135191356
Reduced:	N3O5C25H35 (1)
Stoich.:	A3B5C25D35 (1)
Weight, g/mol:	373.163771
ΔH_f, kcal/mol:	-200.08
Dipole, Da:	5.57
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,13R,20R)-5,16,20-trihydroxy-3-methyl-3,8,10-triazapentacyclo[11.7.1.01,4.05,13.014,19]henicosa-14(19),15,17-triene-9,11-dione

Drug info:

PubChemData

Smile

CC1C2(CCC(CC2(CCN1CC3CC3)C4=C(C=CC(=C4)OC)C(=O)C)C(=O)NC(=O)N)O

DOS

IR

Vibrations