Geometry & MOs

Info

ID:	243197
PubChem CID:	99216835
Reduced:	SO3N4C25H36 (1)
Stoich.:	AB3C4D25E36 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	-124.14
Dipole, Da:	8.22
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]3CCCC4=C3C=NN4C(C)(C)C)C

DOS

IR

Vibrations