Geometry & MOs

Info

ID:	162182
PubChem CID:	57393864
Reduced:	SN2O6C30H34 (1)
Stoich.:	AB2C6D30E34 (1)
Weight, g/mol:	450.145868
ΔH_f, kcal/mol:	-183.55
Dipole, Da:	3.1
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CSC5=NC=CC=N5)OC(=O)C6=CC=CO6)C)O

DOS

IR

Vibrations