Geometry & MOs

Info

ID:	422535
PubChem CID:	135118003
Reduced:	N5O5C12H15 (1)
Stoich.:	A5B5C12D15 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	4.24
IP(EA), eV:	-10.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-3-hydroxy-4-methyl-9-(thiophene-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1CCC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations