Geometry & MOs

Info

ID:	245256
PubChem CID:	99438072
Reduced:	O2S2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	465.194694
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	2.36
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

DOS

IR

Vibrations