Geometry & MOs

Info

ID:	17655
PubChem CID:	509787
Reduced:	ClOSN4C21H25 (1)
Stoich.:	ABCD4E21F25 (1)
Weight, g/mol:	416.14376
ΔH_f, kcal/mol:	34.13
Dipole, Da:	5.87
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2CC[C@H](C1C2)CNC3=NN=C(S3)NC(=O)C=CC4=CC=CC=C4Cl)C

DOS

IR

Vibrations