Geometry & MOs

Info

ID:	31999
PubChem CID:	3727087
Reduced:	N3O7H23C28 (1)
Stoich.:	A3B7C23D28 (1)
Weight, g/mol:	530.208469
ΔH_f, kcal/mol:	-122.54
Dipole, Da:	6.55
IP(EA), eV:	-9.23(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-[3-oxo-3-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]prop-1-enyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(CO)C(=O)O

DOS

IR

Vibrations