Geometry & MOs

Info

ID:	168114
PubChem CID:	74925033
Reduced:	ON2C7H8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	447.137654
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	4.9
IP(EA), eV:	-8.87(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)NCC2=CC=C(C=C2)OC)C3=NC(=O)C4CCCCC4=N3

DOS

IR

Vibrations