Geometry & MOs

Info

ID:	154427
PubChem CID:	56313862
Reduced:	S2N3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	440.122688
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	4.11
IP(EA), eV:	-8.49(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCNC(=O)C2=C(C=CS2)S(=O)(=O)NC3=CC=C(C=C3)C)C

DOS

IR

Vibrations