Geometry & MOs

Info

ID:	417328
PubChem CID:	135092253
Reduced:	N6O7C40H50 (1)
Stoich.:	A6B7C40D50 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-244.47
Dipole, Da:	9.18
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C)C(=O)N2C[C@H]3[C@H](C2)NC(=O)[C@@H](NC(=O)CN(C(=O)[C@H](NC(=O)COC4=CC=CC3=C4)CC(C)C)CCOC)CC5=CC=CC=C5

DOS

IR

Vibrations