Geometry & MOs

Info

ID:	333120
PubChem CID:	127251668
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	418.157581
ΔH_f, kcal/mol:	14.2
Dipole, Da:	5.45
IP(EA), eV:	-8.65(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]pyridin-4-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCOC(C2)C3=NC(=CC(=C3)NC4=NN=CS4)C)OC

DOS

IR

Vibrations