Geometry & MOs

Info

ID:	422765
PubChem CID:	135118368
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-33.86
Dipole, Da:	9.69
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1,2-oxazol-5-yl)-[(1S,5S)-7-[(5-methylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)SCC(=O)N2CCCC(C2)C3=CC(=O)N=C(N3)C

DOS

IR

Vibrations