Geometry & MOs

Info

ID:	189077
PubChem CID:	77812958
Reduced:	F3O5N6C28H37 (1)
Stoich.:	A3B5C6D28E37 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-311.61
Dipole, Da:	6.0
IP(EA), eV:	-9.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 17-hydroxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(CO)NC(=O)C(CC(C)C)N.C1=CC=C2C(=C1)NC(=N2)OC3=NC4=CC=CC=C4N3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations