Geometry & MOs

Info

ID:	417279
PubChem CID:	135091915
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	376.168145
ΔH_f, kcal/mol:	-214.47
Dipole, Da:	3.45
IP(EA), eV:	-9.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-methylpyridin-4-yl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)S(=O)(=O)C2=CC=CC(=C2)C)C(=O)O

DOS

IR

Vibrations