Geometry & MOs

Info

ID:	358863
PubChem CID:	127296734
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	18.34
Dipole, Da:	6.08
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3CCN4C3CCCC4

DOS

IR

Vibrations