Geometry & MOs

Info

ID:	17651
PubChem CID:	509774
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	59.55
Dipole, Da:	2.6
IP(EA), eV:	-8.48(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[5-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1(C2CC[C@H](C1C2)CNC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)C#N)C

DOS

IR

Vibrations